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 6 results

Search term: ODUOJXZPIYUATO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
96913

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
C21H23NO4S385.4766128188551
54591

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m1/s1
C21H23NO4S385.47664454220
2343145

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m0/s1
C21H23NO4S385.4766282600
48063325

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/i3D,6D,7D,10D,11D
C21H18D5NO4S390.5074131500
58785727

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m1/s1/i3D,6D,7D,10D,11D
C21H18D5NO4S390.50742200
111314269

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m0/s1/i3D,6D,7D,10D,11D
C21H18D5NO4S390.50741100

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