[3-[2-[3-(phenylcarbonyloxy)phenyl]ethynyl]phenyl] benzoate

Systemtic Name: [3-[2-[3-(phenylcarbonyloxy)phenyl]ethynyl]phenyl] benzoate Openeye Name: [3-[2-(3-benzoyloxyphenyl)ethynyl]phenyl] benzoate CAS Name: benzoic acid [3-[2-(3-benzoyloxyphenyl)ethynyl]phenyl] ester IUPAC Name: [3-[2-(3-benzoyloxyphenyl)ethynyl]phenyl] benzoate Traditional Name: benzoic acid [3-[2-(3-benzoyloxyphenyl)ethynyl]phenyl] ester Formula: C28H18O4 MolecularWeight: 418.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C#CC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C#CC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H18O4/c29-27(23-11-3-1-4-12-23)31-25-15-7-9-21(19-25)17-18-22-10-8-16-26(20-22)32-28(30)24-13-5-2-6-14-24/h1-16,19-20H