[2-(phenylcarbonyloxy)-3-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide

Systemtic Name: [2-(phenylcarbonyloxy)-3-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide Openeye Name: [2-benzoyloxy-3-(2-pyridin-1-ium-1-ylvinyl)phenyl] benzoate bromide CAS Name: benzoic acid [2-benzoyloxy-3-[2-(1-pyridin-1-iumyl)ethenyl]phenyl] ester bromide IUPAC Name: [2-benzoyloxy-3-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide Traditional Name: benzoic acid [2-benzoyloxy-3-(2-pyridin-1-ium-1-ylvinyl)phenyl] ester bromide Formula: C27H20BrNO4 MolecularWeight: 502.356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2OC(=O)C3=CC=CC=C3)C=C[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2OC(=O)C3=CC=CC=C3)C=C[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H20NO4.BrH/c29-26(22-11-4-1-5-12-22)31-24-16-10-15-21(17-20-28-18-8-3-9-19-28)25(24)32-27(30)23-13-6-2-7-14-23;/h1-20H;1H/q+1;/p-1