4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate

Systemtic Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Openeye Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate CAS Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)-2-pyryliumyl]benzenesulfonate IUPAC Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Traditional Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]besylate Formula: C23H16O8S2 MolecularWeight: 484.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-])O

InChI

InChI=1S/C23H16O8S2/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(10-4-16)32(25,26)27)31-23(14-18)17-5-11-21(12-6-17)33(28,29)30/h1-14H,(H2-,24,25,26,27,28,29,30)