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

Systemtic Name: [3-(phenylcarbonyloxy)-4-[(E)-2-pyridin-1-ium-1-ylethenyl]phenyl] benzoate Openeye Name: [3-benzoyloxy-4-[(E)-2-pyridin-1-ium-1-ylvinyl]phenyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-4-[(E)-2-(1-pyridin-1-iumyl)ethenyl]phenyl] ester IUPAC Name: [3-benzoyloxy-4-[(E)-2-pyridin-1-ium-1-ylethenyl]phenyl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-4-[(E)-2-pyridin-1-ium-1-ylvinyl]phenyl] ester Formula: C27H20NO4+ MolecularWeight: 422.452

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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

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

InChI

InChI=1S/C27H20NO4/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/q+1/b19-16+