4-methyl-2-oxidanyl-6-oxidanylidene-1-[phenyl(sulfo)methyl]pyridine-3-sulfonic acid

Systemtic Name: 4-methyl-2-oxidanyl-6-oxidanylidene-1-[phenyl(sulfo)methyl]pyridine-3-sulfonic acid Openeye Name: 2-hydroxy-4-methyl-6-oxo-1-[phenyl(sulfo)methyl]pyridine-3-sulfonic acid CAS Name: 2-hydroxy-4-methyl-6-oxo-1-[phenyl(sulfo)methyl]-3-pyridinesulfonic acid IUPAC Name: 2-hydroxy-4-methyl-6-oxo-1-[phenyl(sulfo)methyl]pyridine-3-sulfonic acid Traditional Name: 2-hydroxy-6-keto-4-methyl-1-[phenyl(sulfo)methyl]pyridine-3-sulfonic acid Formula: C13H13NO8S2 MolecularWeight: 375.37422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H13NO8S2/c1-8-7-10(15)14(12(16)11(8)23(17,18)19)13(24(20,21)22)9-5-3-2-4-6-9/h2-7,13,16H,1H3,(H,17,18,19)(H,20,21,22)