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 3 results

Search term: CMSQIQACVOBWPZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3763161

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C36H39N3O7/c40-22-30-19-27-15-7-8-17-29(27)21-39(30)33(41)20-28-16-9-10-18-31(38-36(44)46-23-25-11-3-1-4-12-25)35(43)45-24-32(37-34(28)42)26-13-5-2-6-14-26/h1-15,17,28,30-32,40H,16,18-24H2,(H,37,42)(H,38,44)
C36H39N3O7625.7107599999982100
5040296

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H39N3O7/c40-22-30-19-27-15-7-8-17-29(27)21-39(30)33(41)20-28-16-9-10-18-31(38-36(44)46-23-25-11-3-1-4-12-25)35(43)45-24-32(37-34(28)42)26-13-5-2-6-14-26/h1-15,17,28,30-32,40H,16,18-24H2,(H,37,42)(H,38,44)/t28-,30+,31-,32-/m1/s1
C36H39N3O7625.71082100
5040747

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H39N3O7/c40-22-30-19-27-15-7-8-17-29(27)21-39(30)33(41)20-28-16-9-10-18-31(38-36(44)46-23-25-11-3-1-4-12-25)35(43)45-24-32(37-34(28)42)26-13-5-2-6-14-26/h1-15,17,28,30-32,40H,16,18-24H2,(H,37,42)(H,38,44)/t28-,30+,31-,32+/m1/s1
C36H39N3O7625.71082100

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