[4-(4-octylphenyl)phenyl] 3-chloranyl-4-(4-hexylcyclohexyl)benzoate

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-chloranyl-4-(4-hexylcyclohexyl)benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-chloro-4-(4-hexylcyclohexyl)benzoate CAS Name: 3-chloro-4-(4-hexylcyclohexyl)benzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-chloro-4-(4-hexylcyclohexyl)benzoate Traditional Name: 3-chloro-4-(4-hexylcyclohexyl)benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C39H51ClO2 MolecularWeight: 587.27404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCCC)Cl

InChI

InChI=1S/C39H51ClO2/c1-3-5-7-9-10-12-14-30-15-19-32(20-16-30)33-23-26-36(27-24-33)42-39(41)35-25-28-37(38(40)29-35)34-21-17-31(18-22-34)13-11-8-6-4-2/h15-16,19-20,23-29,31,34H,3-14,17-18,21-22H2,1-2H3