2-(2,6-diphenylpyrylium-4-yl)-5-sulfo-benzenesulfonate

Systemtic Name: 2-(2,6-diphenylpyrylium-4-yl)-5-sulfo-benzenesulfonate Openeye Name: 2-(2,6-diphenylpyrylium-4-yl)-5-sulfo-benzenesulfonate CAS Name: 2-(2,6-diphenyl-4-pyryliumyl)-5-sulfobenzenesulfonate IUPAC Name: 2-(2,6-diphenylpyrylium-4-yl)-5-sulfobenzenesulfonate Traditional Name: 2-(2,6-diphenylpyrylium-4-yl)-5-sulfo-besylate Formula: C23H16O7S2 MolecularWeight: 468.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC=CC=C3)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC=CC=C3)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]

InChI

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