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

Systemtic Name: [2-chloranyl-4-(4-pentylphenyl)phenyl] 1-butylcyclohexane-1-carboxylate Openeye Name: [2-chloro-4-(4-pentylphenyl)phenyl] 1-butylcyclohexanecarboxylate CAS Name: 1-butyl-1-cyclohexanecarboxylic acid [2-chloro-4-(4-pentylphenyl)phenyl] ester IUPAC Name: [2-chloro-4-(4-pentylphenyl)phenyl] 1-butylcyclohexane-1-carboxylate Traditional Name: 1-butylcyclohexanecarboxylic acid [4-(4-amylphenyl)-2-chloro-phenyl] ester Formula: C28H37ClO2 MolecularWeight: 441.04518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3(CCCCC3)CCCC)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3(CCCCC3)CCCC)Cl

InChI

InChI=1S/C28H37ClO2/c1-3-5-8-11-22-12-14-23(15-13-22)24-16-17-26(25(29)21-24)31-27(30)28(18-6-4-2)19-9-7-10-20-28/h12-17,21H,3-11,18-20H2,1-2H3