2-acetyloxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid perchlorate

Systemtic Name: 2-acetyloxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid perchlorate Openeye Name: 2-acetoxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid perchlorate CAS Name: 2-acetyloxy-4-(2-methyl-4,6-diphenyl-1-pyridin-1-iumyl)benzoic acid perchlorate IUPAC Name: 2-acetyloxy-4-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)benzoic acid perchlorate Traditional Name: 2-acetoxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid perchlorate Formula: C27H22ClNO8 MolecularWeight: 523.91848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC(=C(C=C2)C(=O)O)OC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC(=C(C=C2)C(=O)O)OC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H21NO4.ClHO4/c1-18-15-22(20-9-5-3-6-10-20)16-25(21-11-7-4-8-12-21)28(18)23-13-14-24(27(30)31)26(17-23)32-19(2)29;2-1(3,4)5/h3-17H,1-2H3;(H,2,3,4,5)