2,6-bis(4-sulfophenyl)pyridine-4-carboxylic acid

Systemtic Name: 2,6-bis(4-sulfophenyl)pyridine-4-carboxylic acid Openeye Name: 2,6-bis(4-sulfophenyl)pyridine-4-carboxylic acid CAS Name: 2,6-bis(4-sulfophenyl)-4-pyridinecarboxylic acid IUPAC Name: 2,6-bis(4-sulfophenyl)pyridine-4-carboxylic acid Traditional Name: 2,6-bis(4-sulfophenyl)isonicotinic acid Formula: C18H13NO8S2 MolecularWeight: 435.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC(=N2)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC(=N2)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H13NO8S2/c20-18(21)13-9-16(11-1-5-14(6-2-11)28(22,23)24)19-17(10-13)12-3-7-15(8-4-12)29(25,26)27/h1-10H,(H,20,21)(H,22,23,24)(H,25,26,27)