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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCN1C(=O)C=C(C(=C1O)S(=O)(=O)O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H13NO8S2/c1-2-14-11(15)7-10(12(13(14)16)24(20,21)22)8-3-5-9(6-4-8)23(17,18)19/h3-7,16H,2H2,1H3,(H,17,18,19)(H,20,21,22)