phenyl 4-[2-(4-naphthalen-2-ylphenyl)ethynyl]benzoate

Systemtic Name: phenyl 4-[2-(4-naphthalen-2-ylphenyl)ethynyl]benzoate Openeye Name: phenyl 4-[2-[4-(2-naphthyl)phenyl]ethynyl]benzoate CAS Name: 4-[2-[4-(2-naphthalenyl)phenyl]ethynyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[2-(4-naphthalen-2-ylphenyl)ethynyl]benzoate Traditional Name: 4-[2-[4-(2-naphthyl)phenyl]ethynyl]benzoic acid phenyl ester Formula: C31H20O2 MolecularWeight: 424.4893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H20O2/c32-31(33-30-8-2-1-3-9-30)27-18-14-24(15-19-27)11-10-23-12-16-26(17-13-23)29-21-20-25-6-4-5-7-28(25)22-29/h1-9,12-22H