(4-pentylphenyl) 4-[(E)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]benzoate

Systemtic Name: (4-pentylphenyl) 4-[(E)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]benzoate Openeye Name: (4-pentylphenyl) 4-[(E)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]benzoate CAS Name: 4-[(E)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[(E)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]benzoate Traditional Name: 4-[(E)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]benzoic acid (4-amylphenyl) ester Formula: C36H50O2 MolecularWeight: 514.781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C=CCCC3CCC(CC3)C4CCC(CC4)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)/C=C/CCC3CCC(CC3)C4CCC(CC4)CC

InChI

InChI=1S/C36H50O2/c1-3-5-6-9-31-18-26-35(27-19-31)38-36(37)34-24-16-30(17-25-34)11-8-7-10-29-14-22-33(23-15-29)32-20-12-28(4-2)13-21-32/h8,11,16-19,24-29,32-33H,3-7,9-10,12-15,20-23H2,1-2H3/b11-8+