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 10 results

Search term: DPVJWUUBZWFDPG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
103181

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8-,9+,10-,11+,12-,13+,14+,15+,17+;/m0./s1
C17H32Cl2N2O5S447.4174201700
77498947

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8-,9+,10-,11+,12?,13+,14?,15+,17+;/m0./s1
C17H32Cl2N2O5S447.41744600
23976951

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8?,9-,10+,11?,12-,13-,14+,15?,17-;/m1./s1
C17H32Cl2N2O5S447.41742100
44750387

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8-,9+,10-,11+,12+,13+,14+,15+,17+;/m0./s1
C17H32Cl2N2O5S447.41742100
44750657

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8-,9-,10+,11-,12+,13-,14-,15-,17-;/m1./s1
C17H32Cl2N2O5S447.41742100
8108932

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8?,9-,10+,11?,12+,13-,14-,15-,17-;/m1./s1
C17H32Cl2N2O5S447.41741100
107441815

7 of 9 defined stereocentres - 7/9 defined

Non-standard isotope
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8-,9+,10-,11+,12?,13+,14?,15+,17+;/m0./s1/i4D2,5D2,6D2,7D2,9D,10D;
C17H22D10Cl2N2O5S457.4791200
107451566

5 of 9 defined stereocentres - 5/9 defined

Non-standard isotope
InChI=1/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H/t8-,9?,10?,11+,12?,13+,14?,15+,17+;/m0./s1/i3D3,4D2,5D2,6D2,7D2,9D,10D;
C17H19D13Cl2N2O5S460.49751100

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