[2-chloranyl-4-(4-hexylphenyl)phenyl] 1-butylcyclohexane-1-carboxylate

Systemtic Name: [2-chloranyl-4-(4-hexylphenyl)phenyl] 1-butylcyclohexane-1-carboxylate Openeye Name: [2-chloro-4-(4-hexylphenyl)phenyl] 1-butylcyclohexanecarboxylate CAS Name: 1-butyl-1-cyclohexanecarboxylic acid [2-chloro-4-(4-hexylphenyl)phenyl] ester IUPAC Name: [2-chloro-4-(4-hexylphenyl)phenyl] 1-butylcyclohexane-1-carboxylate Traditional Name: 1-butylcyclohexanecarboxylic acid [2-chloro-4-(4-hexylphenyl)phenyl] ester Formula: C29H39ClO2 MolecularWeight: 455.07176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3(CCCCC3)CCCC)Cl

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3(CCCCC3)CCCC)Cl

InChI

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