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: GVWJNEOJIHKVKX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22858247

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H31NO5/c1-32(2,3)31(37)28-27(20-14-16-24(38-4)25(18-20)39-5)33(29(35)21-11-7-8-12-22(21)30(33)36)26-17-15-19-10-6-9-13-23(19)34(26)28/h6-18,26-28H,1-5H3/t26?,27-,28+/m1/s1
C33H31NO5521.60298500
58829408

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H31NO5/c1-32(2,3)31(37)28-27(20-14-16-24(38-4)25(18-20)39-5)33(29(35)21-11-7-8-12-22(21)30(33)36)26-17-15-19-10-6-9-13-23(19)34(26)28/h6-18,26-28H,1-5H3/t26-,27+,28-/m0/s1
C33H31NO5521.60296500
2637721

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H31NO5/c1-32(2,3)31(37)28-27(20-14-16-24(38-4)25(18-20)39-5)33(29(35)21-11-7-8-12-22(21)30(33)36)26-17-15-19-10-6-9-13-23(19)34(26)28/h6-18,26-28H,1-5H3
C33H31NO5521.60295200

Advertisement