[4-(4-butylphenyl)-2-chloranyl-phenyl] 1-hexylcyclohexane-1-carboxylate

Systemtic Name: [4-(4-butylphenyl)-2-chloranyl-phenyl] 1-hexylcyclohexane-1-carboxylate Openeye Name: [4-(4-butylphenyl)-2-chloro-phenyl] 1-hexylcyclohexanecarboxylate CAS Name: 1-hexyl-1-cyclohexanecarboxylic acid [4-(4-butylphenyl)-2-chlorophenyl] ester IUPAC Name: [4-(4-butylphenyl)-2-chlorophenyl] 1-hexylcyclohexane-1-carboxylate Traditional Name: 1-hexylcyclohexanecarboxylic acid [4-(4-butylphenyl)-2-chloro-phenyl] ester Formula: C29H39ClO2 MolecularWeight: 455.07176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCCCC1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)CCCC)Cl

Isomeric SMILES

CCCCCCC1(CCCCC1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)CCCC)Cl

InChI

InChI=1S/C29H39ClO2/c1-3-5-7-9-19-29(20-10-8-11-21-29)28(31)32-27-18-17-25(22-26(27)30)24-15-13-23(14-16-24)12-6-4-2/h13-18,22H,3-12,19-21H2,1-2H3