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 2 results

Search term: FENDKHBVPBNGEC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3726693

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H40N2O8/c39-16-15-37-32(40)13-14-38-34(41)26-18-30(33-31(19-26)45-36(46-33)20-24-6-1-2-7-25(24)21-36)44-35(42)27-8-4-3-5-23(27)11-9-22-10-12-28-29(17-22)43-28/h1-9,11,19,22,28-31,33,39H,10,12-18,20-21H2,(H,37,40)(H,38,41)
C36H40N2O8628.7113999999982100
5146486

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C36H40N2O8/c39-16-15-37-32(40)13-14-38-34(41)26-18-30(33-31(19-26)45-36(46-33)20-24-6-1-2-7-25(24)21-36)44-35(42)27-8-4-3-5-23(27)11-9-22-10-12-28-29(17-22)43-28/h1-9,11,19,22,28-31,33,39H,10,12-18,20-21H2,(H,37,40)(H,38,41)/t22?,28?,29?,30-,31-,33+/m1/s1
C36H40N2O8628.71142100

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