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: YMDBGDFMXCMDEJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8751880

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C31H38O4/c1-19-10-15-26-30(2,16-7-17-31(26,3)29(34)35-4)25(19)14-12-20-11-13-23-24(18-20)28(33)22-9-6-5-8-21(22)27(23)32/h5-6,8-9,11,23-26H,1,7,10,12-18H2,2-4H3/t23?,24?,25-,26+,30+,31-/m0/s1
C31H38O4474.6312100
23120860

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C31H38O4/c1-19-10-15-26-30(2,16-7-17-31(26,3)29(34)35-4)25(19)14-12-20-11-13-23-24(18-20)28(33)22-9-6-5-8-21(22)27(23)32/h5-6,8-9,11,23-26H,1,7,10,12-18H2,2-4H3/t23?,24?,25-,26?,30+,31-/m0/s1
C31H38O4474.6311100

Advertisement