(4-butylphenyl) 4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]benzoate

Systemtic Name: (4-butylphenyl) 4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]benzoate Openeye Name: (4-butylphenyl) 4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]benzoate CAS Name: 4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]benzoic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]benzoate Traditional Name: 4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]benzoic acid (4-butylphenyl) ester Formula: C28H36O2 MolecularWeight: 404.58424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C=CCCC3CCC(CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)/C=C/CCC3CCC(CC3)C

InChI

InChI=1S/C28H36O2/c1-3-4-7-23-16-20-27(21-17-23)30-28(29)26-18-14-25(15-19-26)9-6-5-8-24-12-10-22(2)11-13-24/h6,9,14-22,24H,3-5,7-8,10-13H2,1-2H3/b9-6+