2-methoxy-5-[6-(4-methoxy-3-sulfo-phenyl)-4-phenyl-pyrylium-2-yl]benzenesulfonic acid perchlorate

Systemtic Name: 2-methoxy-5-[6-(4-methoxy-3-sulfo-phenyl)-4-phenyl-pyrylium-2-yl]benzenesulfonic acid perchlorate Openeye Name: 2-methoxy-5-[6-(4-methoxy-3-sulfo-phenyl)-4-phenyl-pyrylium-2-yl]benzenesulfonic acid perchlorate CAS Name: 2-methoxy-5-[6-(4-methoxy-3-sulfophenyl)-4-phenyl-2-pyryliumyl]benzenesulfonic acid perchlorate IUPAC Name: 2-methoxy-5-[6-(4-methoxy-3-sulfophenyl)-4-phenylpyrylium-2-yl]benzenesulfonic acid perchlorate Traditional Name: 2-methoxy-5-[6-(4-methoxy-3-sulfo-phenyl)-4-phenyl-pyrylium-2-yl]besylic acid perchlorate Formula: C25H21ClO13S2 MolecularWeight: 629.00944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C4=CC=CC=C4)S(=O)(=O)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC(=C(C=C3)OC)S(=O)(=O)O)C4=CC=CC=C4)S(=O)(=O)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H20O9S2.ClHO4/c1-32-20-10-8-17(14-24(20)35(26,27)28)22-12-19(16-6-4-3-5-7-16)13-23(34-22)18-9-11-21(33-2)25(15-18)36(29,30)31;2-1(3,4)5/h3-15H,1-2H3,(H-,26,27,28,29,30,31);(H,2,3,4,5)