[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-(2-methylbutanoyloxy)benzoate

Systemtic Name: [4-[2-(4-methylphenyl)ethynyl]phenyl] 4-(2-methylbutanoyloxy)benzoate Openeye Name: [4-[2-(p-tolyl)ethynyl]phenyl] 4-(2-methylbutanoyloxy)benzoate CAS Name: 4-(2-methyl-1-oxobutoxy)benzoic acid [4-[2-(4-methylphenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-methylphenyl)ethynyl]phenyl] 4-(2-methylbutanoyloxy)benzoate Traditional Name: 4-(2-methylbutanoyloxy)benzoic acid [4-[2-(p-tolyl)ethynyl]phenyl] ester Formula: C27H24O4 MolecularWeight: 412.47706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C

InChI

InChI=1S/C27H24O4/c1-4-20(3)26(28)30-25-17-13-23(14-18-25)27(29)31-24-15-11-22(12-16-24)10-9-21-7-5-19(2)6-8-21/h5-8,11-18,20H,4H2,1-3H3