4-[6-(4-carboxyphenyl)-4-(4-methoxy-3-sulfo-phenyl)pyridin-2-yl]benzoic acid

Systemtic Name: 4-[6-(4-carboxyphenyl)-4-(4-methoxy-3-sulfo-phenyl)pyridin-2-yl]benzoic acid Openeye Name: 4-[6-(4-carboxyphenyl)-4-(4-methoxy-3-sulfo-phenyl)-2-pyridyl]benzoic acid CAS Name: 4-[6-(4-carboxyphenyl)-4-(4-methoxy-3-sulfophenyl)-2-pyridinyl]benzoic acid IUPAC Name: 4-[6-(4-carboxyphenyl)-4-(4-methoxy-3-sulfophenyl)pyridin-2-yl]benzoic acid Traditional Name: 4-[6-(4-carboxyphenyl)-4-(4-methoxy-3-sulfo-phenyl)-2-pyridyl]benzoic acid Formula: C26H19NO8S MolecularWeight: 505.49596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H19NO8S/c1-35-23-11-10-19(14-24(23)36(32,33)34)20-12-21(15-2-6-17(7-3-15)25(28)29)27-22(13-20)16-4-8-18(9-5-16)26(30)31/h2-14H,1H3,(H,28,29)(H,30,31)(H,32,33,34)