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 5 results

Search term: YGCQLOWUVYDHLW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
561897

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H13NO6S/c1-13(2)20(17,18)7-3-4-8-9(5-7)10(6-11(14)15)19-12(8)16/h3-5,10H,6H2,1-2H3,(H,14,15)
C12H13NO6S299.2997301700
952875

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO6S/c1-13(2)20(17,18)7-3-4-8-9(5-7)10(6-11(14)15)19-12(8)16/h3-5,10H,6H2,1-2H3,(H,14,15)/t10-/m1/s1
C12H13NO6S299.29972100
952876

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO6S/c1-13(2)20(17,18)7-3-4-8-9(5-7)10(6-11(14)15)19-12(8)16/h3-5,10H,6H2,1-2H3,(H,14,15)/t10-/m0/s1
C12H13NO6S299.29972100
5339831

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO6S/c1-13(2)20(17,18)7-3-4-8-9(5-7)10(6-11(14)15)19-12(8)16/h3-5,10H,6H2,1-2H3,(H,14,15)/p-1/t10-/m1/s1
C12H12NO6S298.29231100
5339832

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO6S/c1-13(2)20(17,18)7-3-4-8-9(5-7)10(6-11(14)15)19-12(8)16/h3-5,10H,6H2,1-2H3,(H,14,15)/p-1/t10-/m0/s1
C12H12NO6S298.29231100

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