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: XEMVDBIQBNWJJH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2165940

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H17NO5S/c1-2-25-14-9-5-4-8-13(14)20-17(21)11-16(18(20)22)26-15-10-6-3-7-12(15)19(23)24/h3-10,16H,2,11H2,1H3,(H,23,24)
C19H17NO5S371.40698261800
985044

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17NO5S/c1-2-25-14-9-5-4-8-13(14)20-17(21)11-16(18(20)22)26-15-10-6-3-7-12(15)19(23)24/h3-10,16H,2,11H2,1H3,(H,23,24)/t16-/m1/s1
C19H17NO5S371.4072100
985045

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17NO5S/c1-2-25-14-9-5-4-8-13(14)20-17(21)11-16(18(20)22)26-15-10-6-3-7-12(15)19(23)24/h3-10,16H,2,11H2,1H3,(H,23,24)/t16-/m0/s1
C19H17NO5S371.4072100
3463723

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H17NO5S/c1-2-25-14-9-5-4-8-13(14)20-17(21)11-16(18(20)22)26-15-10-6-3-7-12(15)19(23)24/h3-10,16H,2,11H2,1H3,(H,23,24)/p-1
C19H16NO5S370.399041100
5342837

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17NO5S/c1-2-25-14-9-5-4-8-13(14)20-17(21)11-16(18(20)22)26-15-10-6-3-7-12(15)19(23)24/h3-10,16H,2,11H2,1H3,(H,23,24)/p-1/t16-/m1/s1
C19H16NO5S370.39961100
5342838

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17NO5S/c1-2-25-14-9-5-4-8-13(14)20-17(21)11-16(18(20)22)26-15-10-6-3-7-12(15)19(23)24/h3-10,16H,2,11H2,1H3,(H,23,24)/p-1/t16-/m0/s1
C19H16NO5S370.39961100

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