Matches any text strings used to describe a molecule.
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 9 results

Search term: CGPHGTBLEBJCCB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
164840

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26-,28+,29?,30-,31?,32?,33-,34-,35+,36+,37-,38+,39-/m1/s1
C39H68O6S665.01862200
168569

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26-,28+,29?,30-,31?,32?,33-,34+,35+,36-,37+,38+,39-/m1/s1
C39H68O6S665.01862200
8028458

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26?,28-,29?,30+,31-,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1
C39H68O6S665.01862100
8136958

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-/m1/s1
C39H68O6S665.01862100
28515729

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26?,28-,29?,30+,31-,32-,33-,34+,35-,36+,37+,38-,39+/m0/s1
C39H68O6S665.01862200
28525921

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26?,28-,29?,30+,31-,32-,33-,34+,35-,36+,37-,38-,39+/m0/s1
C39H68O6S665.01862200
58131395

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26?,28-,29?,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m0/s1
C39H68O6S665.01862200
19992730

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26-,28?,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39-/m1/s1
C39H68O6S665.01861100
19993807

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26-,28?,29+,30-,31+,32+,33-,34+,35+,36-,37+,38+,39-/m1/s1
C39H68O6S665.01861100

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