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: VRYGQKIVLMBMGY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8132893

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO5S/c1-15-8-7-9-19-11-20(19)12-22(16(2)10-21-14-34-18(4)28-21)33-24(30)13-23(29)27(5,6)26(32)17(3)25(15)31/h10,14-15,17,19-20,22-23,25,29,31H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,22-,23-,25-/m0/s1
C27H41NO5S491.68314400
8181428

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H41NO5S/c1-15-8-7-9-19-11-20(19)12-22(16(2)10-21-14-34-18(4)28-21)33-24(30)13-23(29)27(5,6)26(32)17(3)25(15)31/h10,14-15,17,19-20,22-23,25,29,31H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,22?,23-,25-/m0/s1
C27H41NO5S491.68312100
9224435

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H41NO5S/c1-15-8-7-9-19-11-20(19)12-22(16(2)10-21-14-34-18(4)28-21)33-24(30)13-23(29)27(5,6)26(32)17(3)25(15)31/h10,14-15,17,19-20,22-23,25,29,31H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,22+,23-,25-/m0/s1
C27H41NO5S491.68312100

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