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 4 results

Search term: CLRFYZIIRGIXMT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
432886

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)16-22-6-9-25(10-7-22)44-33-18-23(8-11-31(33)41-3)17-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3
C37H40N2O6608.72337610
2342057

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)16-22-6-9-25(10-7-22)44-33-18-23(8-11-31(33)41-3)17-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30-/m1/s1
C37H40N2O6608.7232999999982200
321830

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)16-22-6-9-25(10-7-22)44-33-18-23(8-11-31(33)41-3)17-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30?/m1/s1
C37H40N2O6608.72332200
58841602

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)16-22-6-9-25(10-7-22)44-33-18-23(8-11-31(33)41-3)17-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30+/m1/s1
C37H40N2O6608.72331100

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