2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]nicotinic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO5S/c16-10-4-3-8(6-11(10)17)12(18)7-21-13-9(14(19)20)2-1-5-15-13/h1-6,16-17H,7H2,(H,19,20)