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 5 results

Search term: AGIALSQRFZTBOP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17462949

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C34H49NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-29(37)39-27-18-17-25-24-28-34(38)20-19-26(36)32-33(34,30(25)31(27)40-32)21-23-35(28)22-4-2/h4,17-18,28,32,38H,2-3,5-16,19-24H2,1H3/t28?,32?,33-,34+/m0/s1
C34H49NO5551.75668500
2948082

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C34H49NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-29(37)39-27-18-17-25-24-28-34(38)20-19-26(36)32-33(34,30(25)31(27)40-32)21-23-35(28)22-4-2/h4,17-18,28,32,38H,2-3,5-16,19-24H2,1H3
C34H49NO5551.7565599999982100
81423607

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H49NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-29(37)39-27-18-17-25-24-28-34(38)20-19-26(36)32-33(34,30(25)31(27)40-32)21-23-35(28)22-4-2/h4,17-18,28,32,38H,2-3,5-16,19-24H2,1H3/t28?,32-,33-,34+/m0/s1
C34H49NO5551.75661100

Advertisement