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

Systemtic Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfonatophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]benzenesulfonate Openeye Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfonatophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]benzenesulfonate CAS Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfonatophenyl)-4-pyryliumyl]phenyl]-2-pyryliumyl]benzenesulfonate IUPAC Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfonatophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]benzenesulfonate Traditional Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfonatophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]besylate Formula: C40H26O8S2 MolecularWeight: 698.75964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[O+]C(=CC(=C2)C3=CC=C(C=C3)C4=CC(=[O+]C(=C4)C5=CC=C(C=C5)S(=O)(=O)[O-])C6=CC=CC=C6)C7=CC=C(C=C7)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[O+]C(=CC(=C2)C3=CC=C(C=C3)C4=CC(=[O+]C(=C4)C5=CC=C(C=C5)S(=O)(=O)[O-])C6=CC=CC=C6)C7=CC=C(C=C7)S(=O)(=O)[O-]

InChI

InChI=1S/C40H26O8S2/c41-49(42,43)35-19-15-31(16-20-35)39-25-33(23-37(47-39)29-7-3-1-4-8-29)27-11-13-28(14-12-27)34-24-38(30-9-5-2-6-10-30)48-40(26-34)32-17-21-36(22-18-32)50(44,45)46/h1-26H