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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
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Isotopically Labeled
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Found 160 results

Search term: C27H42O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66361
InChI=1/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3
C27H42O6462.6188242200
390409

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1
C27H42O6462.6188211900
4573751

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,23-,25+,26+,27+/m0/s1
C27H42O6462.6188131300
9721932

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22-,25+,26+,27-/m1/s1
C27H42O6462.6188111100
13085540

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22,28,30,32-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,25+,26+,27+/m0/s1
C27H42O6462.61889900
20056508

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H42O6/c1-23(2)9-8-22(33-23)26(5,31)21-7-11-27(32)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-32H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22?,24+,25+,26+,27+/m0/s1
C27H42O6462.61889800
8654891

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H42O6/c1-23(2)9-8-22(33-23)26(5,31)21-7-11-27(32)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-32H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
C27H42O6462.61889700
34997365
InChI=1/C27H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(32)22-18-19-23(25(28)29)24(21-22)26(30)31/h18-19,21H,2-17,20H2,1H3,(H,28,29)(H,30,31)
C27H42O6462.61886700
95725
InChI=1/C27H42O6/c1-3-5-7-9-11-12-14-16-20-33-27(31)23-18-17-22(21-24(23)25(28)29)26(30)32-19-15-13-10-8-6-4-2/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,29)
C27H42O6462.61886600
8965549

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H42O6/c1-15(5-8-21(30)31)16-9-10-24(3)17-6-7-18-25(4,22(32)33)19(28)13-20(29)27(18)14-26(17,27)12-11-23(16,24)2/h15-20,28-29H,5-14H2,1-4H3,(H,30,31)(H,32,33)/t15-,16-,17+,18+,19+,20+,23-,24+,25+,26+,27-/m1/s1
C27H42O6462.61886501
9169407

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H42O6/c1-9-14(2)25(31)33-20-12-15(3)21-19(30)13-27(8)11-10-18(29)16(4)22(27)24(32-17(5)28)23(20)26(21,6)7/h14,18-20,22-24,29-30H,4,9-13H2,1-3,5-8H3/t14-,18-,19-,20-,22-,23-,24-,27-/m0/s1
C27H42O6462.61886500
106112
InChI=1/C27H42O6/c1-3-5-7-9-11-12-14-15-19-32-26(30)22-17-18-23(24(21-22)25(28)29)27(31)33-20-16-13-10-8-6-4-2/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,29)
C27H42O6462.61885500
3394983

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3
C27H42O6462.618785300
276675

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H42O6/c1-15(25(30)31-6)21-9-10-22-20-8-7-18-13-19(32-16(2)28)11-12-26(18,4)23(20)14-24(27(21,22)5)33-17(3)29/h15,18-24H,7-14H2,1-6H3
C27H42O6462.61885500
34998568

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H42O6/c1-18(16-26(3,4)5)11-13-32-24(30)20-9-10-21(23(28)29)22(15-20)25(31)33-14-12-19(2)17-27(6,7)8/h9-10,15,18-19H,11-14,16-17H2,1-8H3,(H,28,29)
C27H42O6462.61885600
8727424

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H42O6/c1-14-5-10-27(32-13-14)15(2)21-20(33-27)11-18-16-6-9-26(31)12-19(28)22(29)23(30)25(26,4)17(16)7-8-24(18,21)3/h15-23,28-31H,1,5-13H2,2-4H3/t15-,16+,17-,18-,19+,20-,21-,22+,23+,24-,25-,26-,27+/m0/s1
C27H42O6462.61885400
4933218

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C27H42O6/c1-17(28)31-16-24(32-18(2)29)27(33-19(3)30)15-12-23-21-10-9-20-8-6-7-13-25(20,4)22(21)11-14-26(23,27)5/h20-24H,6-16H2,1-5H3/t20-,21?,22?,23?,24-,25+,26+,27+/m1/s1
C27H42O6462.61884400
277082

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H42O6/c1-16(14-32-18(3)28)7-8-23(30)17(2)25-24(31)13-21-11-20-12-22(33-19(4)29)9-10-26(20,5)15-27(21,25)6/h16-17,20-22,25H,7-15H2,1-6H3
C27H42O6462.61884300
371915

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H42O6/c1-16(28)32-18-8-11-25(2)17(14-18)6-7-22-21(25)9-12-26(3)20-10-13-27(22,26)33-24(31-5)19(20)15-23(29)30-4/h17-22,24H,6-15H2,1-5H3
C27H42O6462.61884300
169177

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22,28,30,32-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20?,22+,25+,26+,27?/m0/s1
C27H42O6462.61884400
12345

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