4-methylpentan-2-yl 4-(4-phenylbuta-1,3-diynyl)benzoate

Systemtic Name: 4-methylpentan-2-yl 4-(4-phenylbuta-1,3-diynyl)benzoate Openeye Name: 1,3-dimethylbutyl 4-(4-phenylbuta-1,3-diynyl)benzoate CAS Name: 4-(4-phenylbuta-1,3-diynyl)benzoic acid 4-methylpentan-2-yl ester IUPAC Name: 4-methylpentan-2-yl 4-(4-phenylbuta-1,3-diynyl)benzoate Traditional Name: 4-(4-phenylbuta-1,3-diynyl)benzoic acid 1,3-dimethylbutyl ester Formula: C23H22O2 MolecularWeight: 330.41958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C)OC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2

InChI

InChI=1S/C23H22O2/c1-18(2)17-19(3)25-23(24)22-15-13-21(14-16-22)12-8-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-16,18-19H,17H2,1-3H3