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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 11 results

Search term: MRWGDKAZJARYTL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
418733

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17+,18-,19+,20-,21-,22-,24-,25-,27+,28+,29+/m1/s1
C29H42O6486.64026700
435742

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17+,18-,19?,20-,21-,22-,24-,25-,27+,28?,29?/m1/s1
C29H42O6486.64022200
435743

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17-,18-,19?,20-,21-,22-,24-,25-,27+,28?,29?/m1/s1
C29H42O6486.64022200
8067271

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17+,18-,19-,20-,21?,22-,24-,25-,27-,28+,29+/m1/s1
C29H42O6486.64022100
8610946

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17+,18-,19?,20-,21-,22-,24-,25-,27?,28?,29+/m1/s1
C29H42O6486.64022100
23141643

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17-,18-,19?,20-,21-,22-,24-,25-,27?,28?,29?/m1/s1
C29H42O6486.64021100
23141644

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17+,18-,19?,20-,21-,22-,24-,25-,27?,28?,29?/m1/s1
C29H42O6486.64021100
34522315

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17-,18-,19+,20-,21-,22-,24-,25-,27+,28?,29?/m1/s1
C29H42O6486.64021100
34522316

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17+,18-,19+,20-,21-,22-,24-,25-,27+,28?,29?/m1/s1
C29H42O6486.64021100
58818923

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O6/c1-15(2)23-8-19-10-27(13-30)22-7-6-16(3)21(22)11-28(19,29(23,27)26(31)32)14-34-24-9-20-17(4)12-33-25(20)18(5)35-24/h8,13,15-22,24-25H,6-7,9-12,14H2,1-5H3,(H,31,32)/t16-,17+,18-,19+,20-,21-,22-,24-,25-,27+,28-,29+/m1/s1
C29H42O6486.64021100

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