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: PDTWKBUQPXQARH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2711570

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C38H40N2O6/c1-24-33(22-39(3)25(2)34(42)28-9-5-4-6-10-28)45-38(46-35(24)29-17-15-27(23-41)16-18-29)30-19-13-26(14-20-30)21-40-36(43)31-11-7-8-12-32(31)37(40)44/h4-20,24-25,33-35,38,41-42H,21-23H2,1-3H3
C38H40N2O6620.7339999999982100
5117277

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H40N2O6/c1-24-33(22-39(3)25(2)34(42)28-9-5-4-6-10-28)45-38(46-35(24)29-17-15-27(23-41)16-18-29)30-19-13-26(14-20-30)21-40-36(43)31-11-7-8-12-32(31)37(40)44/h4-20,24-25,33-35,38,41-42H,21-23H2,1-3H3/t24-,25+,33+,34+,35+,38+/m0/s1
C38H40N2O6620.7342100
5117392

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H40N2O6/c1-24-33(22-39(3)25(2)34(42)28-9-5-4-6-10-28)45-38(46-35(24)29-17-15-27(23-41)16-18-29)30-19-13-26(14-20-30)21-40-36(43)31-11-7-8-12-32(31)37(40)44/h4-20,24-25,33-35,38,41-42H,21-23H2,1-3H3/t24-,25-,33+,34-,35+,38+/m0/s1
C38H40N2O6620.7342100
5123022

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H40N2O6/c1-24-33(22-39(3)25(2)34(42)28-9-5-4-6-10-28)45-38(46-35(24)29-17-15-27(23-41)16-18-29)30-19-13-26(14-20-30)21-40-36(43)31-11-7-8-12-32(31)37(40)44/h4-20,24-25,33-35,38,41-42H,21-23H2,1-3H3/t24-,25-,33+,34-,35+,38+/m1/s1
C38H40N2O6620.7342100
5123137

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H40N2O6/c1-24-33(22-39(3)25(2)34(42)28-9-5-4-6-10-28)45-38(46-35(24)29-17-15-27(23-41)16-18-29)30-19-13-26(14-20-30)21-40-36(43)31-11-7-8-12-32(31)37(40)44/h4-20,24-25,33-35,38,41-42H,21-23H2,1-3H3/t24-,25+,33+,34+,35+,38+/m1/s1
C38H40N2O6620.7342100

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