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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 28 results

Search term: JTBGJQZJEYVBJZ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10217425

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1
C30H48O4472.6997252100
24718130

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22+,23-,26-,27+,28-,29+,30+/m0/s1
C30H48O4472.6997191600
9959418

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22+,23+,26-,27+,28-,29+,30+/m0/s1
C30H48O4472.699715900
29365131

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22?,23?,26?,27-,28+,29-,30-/m1/s1
C30H48O4472.69978400
10235896

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,26-,27+,28-,29+,30+/m0/s1
C30H48O4472.69975400
113288

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,26?,27+,28-,29+,30+/m0/s1
C30H48O4472.69975500
169547

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22+,23-,26-,27-,28+,29-,30-/m1/s1
C30H48O4472.69975500
4423148

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)
C30H48O4472.6997200000015500
8157856

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20?,21?,22-,23-,26-,27+,28-,29+,30+/m0/s1
C30H48O4472.69973200
24699921

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,26+,27-,28+,29-,30-/m1/s1
C30H48O4472.69972200
4475247

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21?,22-,23?,26-,27+,28-,29?,30+/m0/s1
C30H48O4472.69972200
4479718

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21?,22-,23+,26-,27+,28-,29?,30+/m0/s1
C30H48O4472.69972200
58801787

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22-,23-,26-,27-,28+,29-,30-/m1/s1
C30H48O4472.69972300
58827428

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,26+,27+,28-,29+,30+/m0/s1
C30H48O4472.69972300
113610498

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,26-,27-,28-,29+,30+/m0/s1
C30H48O4472.69971100
113610929

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22+,23+,26-,27-,28-,29+,30+/m0/s1
C30H48O4472.69971100
113611247

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22+,23-,26-,27-,28-,29+,30+/m0/s1
C30H48O4472.69971100
114815401

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,26+,27-,28-,29+,30-/m1/s1
C30H48O4472.69971100
128910382

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22-,23+,26-,27-,28+,29-,30-/m1/s1
C30H48O4472.69971100
28285300

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,26+,27+,28-,29+,30+/m0/s1
C30H48O4472.69971100
12

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