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 15 results

Search term: AVGYWQBCYZHHPN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
56640

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
C16H19N3O5S365.40427311904
10621453

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2
C16H19N3O5S365.40429500
19968948

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10?,11?,15-;/m1./s1
C16H19N3O5S365.40427600
17346475

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15?;/m1./s1
C16H19N3O5S365.40426500
58781573

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15?;/m1./s1/i2D,3D,4D,5D,6D;
C16H14D5N3O5S370.4355600
31043282

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10?,11-,15-;/m1./s1
C16H19N3O5S365.40425200
88297293

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10?,11-,15-;/m0./s1
C16H19N3O5S365.40423200
5036810

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11+,15-;/m0./s1
C16H19N3O5S365.40423300
107442571

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11?,15-;/m1./s1
C16H19N3O5S365.40421100
114393093

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11+,15+;/m1./s1
C16H19N3O5S365.40421100
115010975

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1/i2D,3D,4D,5D,6D;
C16H14D5N3O5S370.4351100
128924779

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15+;/m1./s1
C16H19N3O5S365.40421100
34978253

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10?,11-,15?;/m1./s1
C16H19N3O5S365.40421100

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