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

Systemtic Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]benzenesulfonic acid Openeye Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]benzenesulfonic acid CAS Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfophenyl)-4-pyryliumyl]phenyl]-2-pyryliumyl]benzenesulfonic acid IUPAC Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]benzenesulfonic acid Traditional Name: 4-[6-phenyl-4-[4-[2-phenyl-6-(4-sulfophenyl)pyrylium-4-yl]phenyl]pyrylium-2-yl]besylic acid Formula: C40H28O8S2+2 MolecularWeight: 700.77552

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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/p+2