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

Systemtic Name: 4-[4-phenyl-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Openeye Name: 4-[4-phenyl-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate CAS Name: 4-[4-phenyl-6-(4-sulfophenyl)-2-pyryliumyl]benzenesulfonate IUPAC Name: 4-[4-phenyl-6-(4-sulfophenyl)pyrylium-2-yl]benzenesulfonate Traditional Name: 4-[4-phenyl-6-(4-sulfophenyl)pyrylium-2-yl]besylate Formula: C23H16O7S2 MolecularWeight: 468.49894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16O7S2/c24-31(25,26)20-10-6-17(7-11-20)22-14-19(16-4-2-1-3-5-16)15-23(30-22)18-8-12-21(13-9-18)32(27,28)29/h1-15H,(H-,24,25,26,27,28,29)