[3-(phenylcarbonyloxy)-4-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide

Systemtic Name: [3-(phenylcarbonyloxy)-4-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide Openeye Name: [3-benzoyloxy-4-(2-pyridin-1-ium-1-ylvinyl)phenyl] benzoate bromide CAS Name: benzoic acid [3-benzoyloxy-4-[2-(1-pyridin-1-iumyl)ethenyl]phenyl] ester bromide IUPAC Name: [3-benzoyloxy-4-(2-pyridin-1-ium-1-ylethenyl)phenyl] benzoate bromide Traditional Name: benzoic acid [3-benzoyloxy-4-(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(=C(C=C2)C=C[N+]3=CC=CC=C3)OC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C=C[N+]3=CC=CC=C3)OC(=O)C4=CC=CC=C4.[Br-]

InChI

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