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
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Found 5 results

Search term: DDTIHKFPDRADGZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34952217

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H40N2O9S/c1-20(2)16-31(41(34,35)24-11-9-22(36-3)10-12-24)17-26(32)25(13-21-7-5-4-6-8-21)30-29(33)40-23-14-27-28(15-23)39-19-37-18-38-27/h4-12,20,23,25-28,32H,13-19H2,1-3H3,(H,30,33)/t23-,25-,26+,27?,28+/m0/s1
C29H40N2O9S592.70093300
34952218

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C29H40N2O9S/c1-20(2)16-31(41(34,35)24-11-9-22(36-3)10-12-24)17-26(32)25(13-21-7-5-4-6-8-21)30-29(33)40-23-14-27-28(15-23)39-19-37-18-38-27/h4-12,20,23,25-28,32H,13-19H2,1-3H3,(H,30,33)/t23?,25-,26+,27+,28?/m0/s1
C29H40N2O9S592.70093300
34536445

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H40N2O9S/c1-20(2)16-31(41(34,35)24-11-9-22(36-3)10-12-24)17-26(32)25(13-21-7-5-4-6-8-21)30-29(33)40-23-14-27-28(15-23)39-19-37-18-38-27/h4-12,20,23,25-28,32H,13-19H2,1-3H3,(H,30,33)/t23-,25-,26+,27+,28-/m0/s1
C29H40N2O9S592.70091100
34536453

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H40N2O9S/c1-20(2)16-31(41(34,35)24-11-9-22(36-3)10-12-24)17-26(32)25(13-21-7-5-4-6-8-21)30-29(33)40-23-14-27-28(15-23)39-19-37-18-38-27/h4-12,20,23,25-28,32H,13-19H2,1-3H3,(H,30,33)/t23-,25-,26+,27-,28+/m0/s1
C29H40N2O9S592.70091100
34555619

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H40N2O9S/c1-20(2)16-31(41(34,35)24-11-9-22(36-3)10-12-24)17-26(32)25(13-21-7-5-4-6-8-21)30-29(33)40-23-14-27-28(15-23)39-19-37-18-38-27/h4-12,20,23,25-28,32H,13-19H2,1-3H3,(H,30,33)
C29H40N2O9S592.70091200

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