1-methyl-2-oxidanyl-6-oxidanylidene-4-(4-sulfophenyl)pyridine-3-sulfonic acid

Systemtic Name: 1-methyl-2-oxidanyl-6-oxidanylidene-4-(4-sulfophenyl)pyridine-3-sulfonic acid Openeye Name: 2-hydroxy-1-methyl-6-oxo-4-(4-sulfophenyl)pyridine-3-sulfonic acid CAS Name: 2-hydroxy-1-methyl-6-oxo-4-(4-sulfophenyl)-3-pyridinesulfonic acid IUPAC Name: 2-hydroxy-1-methyl-6-oxo-4-(4-sulfophenyl)pyridine-3-sulfonic acid Traditional Name: 2-hydroxy-6-keto-1-methyl-4-(4-sulfophenyl)pyridine-3-sulfonic acid Formula: C12H11NO8S2 MolecularWeight: 361.34764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H11NO8S2/c1-13-10(14)6-9(11(12(13)15)23(19,20)21)7-2-4-8(5-3-7)22(16,17)18/h2-6,15H,1H3,(H,16,17,18)(H,19,20,21)