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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 16 results

Search term: NBGQZFQREPIKMG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
147762

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
C30H48O3456.7003625700
23976687

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22?,23-,24+,26-,27-,28-,29-,30-/m1/s1
C30H48O3456.7003181300
4357796

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)
C30H48O3456.70032000000172100
16735706

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
C30H48O3456.70036603
5293326

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23-,24?,26-,27-,28-,29-,30-/m1/s1
C30H48O3456.7003200000014300
16498741

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30+/m1/s1
C30H48O3456.70033100
78076514

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23-,24+,26-,27-,28-,29-,30-/m1/s1
C30H48O3456.70032200
82964119

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m0/s1
C30H48O3456.70032100
21106497

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24?,26-,27-,28-,29-,30-/m1/s1
C30H48O3456.70032200
23296528

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23+,24+,26-,27-,28-,29-,30-/m1/s1
C30H48O3456.70032200
110803748

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26+,27+,28+,29+,30+/m1/s1
C30H48O3456.70032200
113608938

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,26+,27-,28-,29-,30-/m1/s1
C30H48O3456.70031100
114100755

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23-,24+,26-,27-,28-,29-,30-/m0/s1
C30H48O3456.70031100
114393886

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22?,23+,24-,26-,27-,28-,29+,30-/m0/s1
C30H48O3456.70031100
114814441

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19-,21-,22-,23-,24-,26-,27+,28-,29+,30+/m1/s1
C30H48O3456.70031100
96316889

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19-,21-,22?,23-,24-,26+,27+,28-,29+,30-/m0/s1
C30H48O3456.70031100

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