4-[6-(4-carboxyphenyl)-4-phenyl-pyrylium-2-yl]benzoic acid perchlorate

Systemtic Name: 4-[6-(4-carboxyphenyl)-4-phenyl-pyrylium-2-yl]benzoic acid perchlorate Openeye Name: 4-[6-(4-carboxyphenyl)-4-phenyl-pyrylium-2-yl]benzoic acid perchlorate CAS Name: 4-[6-(4-carboxyphenyl)-4-phenyl-2-pyryliumyl]benzoic acid perchlorate IUPAC Name: 4-[6-(4-carboxyphenyl)-4-phenylpyrylium-2-yl]benzoic acid perchlorate Traditional Name: 4-[6-(4-carboxyphenyl)-4-phenyl-pyrylium-2-yl]benzoic acid perchlorate Formula: C25H17ClO9 MolecularWeight: 496.85008

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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)C(=O)O)C4=CC=C(C=C4)C(=O)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C25H16O5.ClHO4/c26-24(27)19-10-6-17(7-11-19)22-14-21(16-4-2-1-3-5-16)15-23(30-22)18-8-12-20(13-9-18)25(28)29;2-1(3,4)5/h1-15H,(H-,26,27,28,29);(H,2,3,4,5)