2,6-bis(4-methoxy-3-sulfo-phenyl)pyridin-1-ium-4-carboxylic acid perchlorate

Systemtic Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyridin-1-ium-4-carboxylic acid perchlorate Openeye Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyridin-1-ium-4-carboxylic acid perchlorate CAS Name: 2,6-bis(4-methoxy-3-sulfophenyl)-4-pyridin-1-iumcarboxylic acid perchlorate IUPAC Name: 2,6-bis(4-methoxy-3-sulfophenyl)pyridin-1-ium-4-carboxylic acid perchlorate Traditional Name: 2,6-bis(4-methoxy-3-sulfo-phenyl)pyridin-1-ium-4-carboxylic acid perchlorate Formula: C20H18ClNO14S2 MolecularWeight: 595.93822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC(=[NH+]2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C(=O)O)S(=O)(=O)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC(=[NH+]2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C(=O)O)S(=O)(=O)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H17NO10S2.ClHO4/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;2-1(3,4)5/h3-10H,1-2H3,(H,22,23)(H,24,25,26)(H,27,28,29);(H,2,3,4,5)