[4-butoxy-2,3-bis(chloranyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [4-butoxy-2,3-bis(chloranyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-butoxy-2,3-dichloro-phenyl) 4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (4-butoxy-2,3-dichlorophenyl) ester IUPAC Name: (4-butoxy-2,3-dichlorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylcyclohexyl)cyclohexanecarboxylic acid (4-butoxy-2,3-dichloro-phenyl) ester Formula: C28H42Cl2O3 MolecularWeight: 497.53728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OCCCC)Cl)Cl

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OCCCC)Cl)Cl

InChI

InChI=1S/C28H42Cl2O3/c1-3-5-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)28(31)33-25-18-17-24(26(29)27(25)30)32-19-6-4-2/h17-18,20-23H,3-16,19H2,1-2H3