[3-(2,6-diphenylpyrylium-4-yl)azulen-1-yl] benzoate perchlorate

Systemtic Name: [3-(2,6-diphenylpyrylium-4-yl)azulen-1-yl] benzoate perchlorate Openeye Name: [3-(2,6-diphenylpyrylium-4-yl)azulen-1-yl] benzoate perchlorate CAS Name: benzoic acid [3-(2,6-diphenyl-4-pyryliumyl)-1-azulenyl] ester perchlorate IUPAC Name: [3-(2,6-diphenylpyrylium-4-yl)azulen-1-yl] benzoate perchlorate Traditional Name: benzoic acid [3-(2,6-diphenylpyrylium-4-yl)azulen-1-yl] ester perchlorate Formula: C34H23ClO7 MolecularWeight: 578.99522

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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=CC(=C5C4=CC=CC=C5)OC(=O)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC=CC=C3)C4=CC(=C5C4=CC=CC=C5)OC(=O)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C34H23O3.ClHO4/c35-34(26-17-9-3-10-18-26)37-33-23-30(28-19-11-4-12-20-29(28)33)27-21-31(24-13-5-1-6-14-24)36-32(22-27)25-15-7-2-8-16-25;2-1(3,4)5/h1-23H;(H,2,3,4,5)/q+1;/p-1