4-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-hydroxy-2-pyridyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-hydroxy-2-pyridinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-hydroxypyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-hydroxy-2-pyridyl)thio]methyl]benzoic acid Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C13H11NO3S/c15-11-2-1-7-14-12(11)18-8-9-3-5-10(6-4-9)13(16)17/h1-7,15H,8H2,(H,16,17)