2,6-bis(4-methoxy-3-sulfo-phenyl)pyridine-4-carboxylic acid

Systemtic Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyridine-4-carboxylic acid Openeye Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyridine-4-carboxylic acid CAS Name: 2,6-bis(4-methoxy-3-sulfophenyl)-4-pyridinecarboxylic acid IUPAC Name: 2,6-bis(4-methoxy-3-sulfophenyl)pyridine-4-carboxylic acid Traditional Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)isonicotinic acid Formula: C20H17NO10S2 MolecularWeight: 495.47968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC(=N2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC(=N2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H17NO10S2/c1-30-16-5-3-11(9-18(16)32(24,25)26)14-7-13(20(22)23)8-15(21-14)12-4-6-17(31-2)19(10-12)33(27,28)29/h3-10H,1-2H3,(H,22,23)(H,24,25,26)(H,27,28,29)