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: CJIQEYDGSFKYGM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8732238

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H48O13/c1-21-32(48-23(3)40)18-30-34(50-25(5)42)17-29(20-47-35(46)16-15-28-13-11-10-12-14-28)31(45)19-33(49-24(4)41)22(2)37(51-26(6)43)38(52-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3/b16-15+,29-17+,37-22-/t30-,31-,32-,33-,34-,38+/m0/s1
C39H48O13724.79062100
13180794

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H48O13/c1-21-32(48-23(3)40)18-30-34(50-25(5)42)17-29(20-47-35(46)16-15-28-13-11-10-12-14-28)31(45)19-33(49-24(4)41)22(2)37(51-26(6)43)38(52-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3/b16-15+,29-17-,37-22u/t30-,31+,32-,33-,34-,38+/m0/s1
C39H48O13724.79061100

Advertisement