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

Systemtic Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonic acid CAS Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)-2-pyryliumyl]benzenesulfonic acid IUPAC Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonic acid Traditional Name: 4-[4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyrylium-2-yl]besylic acid Formula: C23H17O8S2+ MolecularWeight: 485.50628

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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)/p+1