molecular hydrogen; 4-oxidanyl-3-(piperidin-1-ylmethylsulfanyl)benzoic acid

Systemtic Name: molecular hydrogen; 4-oxidanyl-3-(piperidin-1-ylmethylsulfanyl)benzoic acid Openeye Name: 4-hydroxy-3-(1-piperidylmethylsulfanyl)benzoic acid; molecular hydrogen CAS Name: 4-hydroxy-3-(1-piperidinylmethylthio)benzoic acid; molecular hydrogen IUPAC Name: 4-hydroxy-3-(piperidin-1-ylmethylsulfanyl)benzoic acid; molecular hydrogen Traditional Name: 4-hydroxy-3-(piperidinomethylthio)benzoic acid; molecular hydrogen Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

[HH].C1CCN(CC1)CSC2=C(C=CC(=C2)C(=O)O)O

Isomeric SMILES

[HH].C1CCN(CC1)CSC2=C(C=CC(=C2)C(=O)O)O

InChI

InChI=1S/C13H17NO3S.H2/c15-11-5-4-10(13(16)17)8-12(11)18-9-14-6-2-1-3-7-14;/h4-5,8,15H,1-3,6-7,9H2,(H,16,17);1H