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

Systemtic Name: 4-(methoxymethyl)-2-oxidanyl-6-oxidanylidene-1-(4-sulfophenyl)pyridine-3-sulfonic acid Openeye Name: 2-hydroxy-4-(methoxymethyl)-6-oxo-1-(4-sulfophenyl)pyridine-3-sulfonic acid CAS Name: 2-hydroxy-4-(methoxymethyl)-6-oxo-1-(4-sulfophenyl)-3-pyridinesulfonic acid IUPAC Name: 2-hydroxy-4-(methoxymethyl)-6-oxo-1-(4-sulfophenyl)pyridine-3-sulfonic acid Traditional Name: 2-hydroxy-6-keto-4-(methoxymethyl)-1-(4-sulfophenyl)pyridine-3-sulfonic acid Formula: C13H13NO9S2 MolecularWeight: 391.37362

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COCC1=CC(=O)N(C(=C1S(=O)(=O)O)O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H13NO9S2/c1-23-7-8-6-11(15)14(13(16)12(8)25(20,21)22)9-2-4-10(5-3-9)24(17,18)19/h2-6,16H,7H2,1H3,(H,17,18,19)(H,20,21,22)