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: IKGMLEFAZJXZJE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7869427

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C29H35BrN2O5S/c1-34-22-7-5-18(6-8-22)16-38-25-11-20(32-35-2)10-24-29(25)12-21(14-33)31-13-19-9-23(36-15-17-3-4-17)27(30)28(37-24)26(19)29/h5-9,17,21,24-25,31,33H,3-4,10-16H2,1-2H3/b32-20+/t21-,24?,25+,29?/m0/s1
C29H35BrN2O5S603.56762200
20160049

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H35BrN2O5S/c1-34-22-7-5-18(6-8-22)16-38-25-11-20(32-35-2)10-24-29(25)12-21(14-33)31-13-19-9-23(36-15-17-3-4-17)27(30)28(37-24)26(19)29/h5-9,17,21,24-25,31,33H,3-4,10-16H2,1-2H3/b32-20+/t21-,24+,25+,29+/m0/s1
C29H35BrN2O5S603.56762200
59718903

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C29H35BrN2O5S/c1-34-22-7-5-18(6-8-22)16-38-25-11-20(32-35-2)10-24-29(25)12-21(14-33)31-13-19-9-23(36-15-17-3-4-17)27(30)28(37-24)26(19)29/h5-9,17,21,24-25,31,33H,3-4,10-16H2,1-2H3/b32-20+/t21-,24?,25+,29+/m0/s1
C29H35BrN2O5S603.56762200

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