methyl 4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]-3-(2-phenylethynyl)benzoate

Systemtic Name: methyl 4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]-3-(2-phenylethynyl)benzoate Openeye Name: methyl 4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]-3-(2-phenylethynyl)benzoate CAS Name: 4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]-3-(2-phenylethynyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-methoxycarbonyl-2-(2-phenylethynyl)phenyl]-3-(2-phenylethynyl)benzoate Traditional Name: 4-[4-carbomethoxy-2-(2-phenylethynyl)phenyl]-3-(2-phenylethynyl)benzoic acid methyl ester Formula: C32H22O4 MolecularWeight: 470.51468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OC)C#CC3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OC)C#CC3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C32H22O4/c1-35-31(33)27-17-19-29(25(21-27)15-13-23-9-5-3-6-10-23)30-20-18-28(32(34)36-2)22-26(30)16-14-24-11-7-4-8-12-24/h3-12,17-22H,1-2H3