4-[4-(4-methoxyphenyl)-6-(4-sulfophenyl)pyridin-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(4-methoxyphenyl)-6-(4-sulfophenyl)pyridin-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(4-methoxyphenyl)-6-(4-sulfophenyl)-2-pyridyl]benzenesulfonic acid CAS Name: 4-[4-(4-methoxyphenyl)-6-(4-sulfophenyl)-2-pyridinyl]benzenesulfonic acid IUPAC Name: 4-[4-(4-methoxyphenyl)-6-(4-sulfophenyl)pyridin-2-yl]benzenesulfonic acid Traditional Name: 4-[4-(4-methoxyphenyl)-6-(4-sulfophenyl)-2-pyridyl]besylic acid Formula: C24H19NO7S2 MolecularWeight: 497.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO7S2/c1-32-20-8-2-16(3-9-20)19-14-23(17-4-10-21(11-5-17)33(26,27)28)25-24(15-19)18-6-12-22(13-7-18)34(29,30)31/h2-15H,1H3,(H,26,27,28)(H,29,30,31)