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 2 results

Search term: KMFPAIGKYNZRJV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23231349

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C30H39NO4/c32-29(33)13-7-4-10-22-34-30-27(31-20-8-1-2-9-21-31)18-19-28(30)35-23-24-14-16-26(17-15-24)25-11-5-3-6-12-25/h3-6,10-12,14-17,27-28,30H,1-2,7-9,13,18-23H2,(H,32,33)/b10-4-/t27-,28-,30+/m0/s1
C30H39NO4477.6353300
23231546

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C30H39NO4/c32-29(33)13-7-4-10-22-34-30-27(31-20-8-1-2-9-21-31)18-19-28(30)35-23-24-14-16-26(17-15-24)25-11-5-3-6-12-25/h3-6,10-12,14-17,27-28,30H,1-2,7-9,13,18-23H2,(H,32,33)/b10-4-/t27-,28?,30+/m0/s1
C30H39NO4477.6353300

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