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: FLHVXEBNPSGCBC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3859618

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C37H40O9/c1-35-14-13-24(44-33(40)20-9-5-3-6-10-20)16-23(35)17-26-29-30(35)31(46-34(41)21-11-7-4-8-12-21)32(39)36(2)25(22-15-28(38)43-19-22)18-27(45-26)37(29,36)42/h3-12,15,23-27,29-32,39,42H,13-14,16-19H2,1-2H3
C37H40O9628.70812100
22903898

1 of 12 defined stereocentres - 1/12 defined
InChI=1/C37H40O9/c1-35-14-13-24(44-33(40)20-9-5-3-6-10-20)16-23(35)17-26-29-30(35)31(46-34(41)21-11-7-4-8-12-21)32(39)36(2)25(22-15-28(38)43-19-22)18-27(45-26)37(29,36)42/h3-12,15,23-27,29-32,39,42H,13-14,16-19H2,1-2H3/t23?,24?,25?,26?,27?,29?,30?,31-,32?,35?,36?,37?/m0/s1
C37H40O9628.70812100

Advertisement