[4-(4-nonylcyclohexyl)cyclohexyl] 3-chloranyl-4-propyl-benzoate

Systemtic Name: [4-(4-nonylcyclohexyl)cyclohexyl] 3-chloranyl-4-propyl-benzoate Openeye Name: [4-(4-nonylcyclohexyl)cyclohexyl] 3-chloro-4-propyl-benzoate CAS Name: 3-chloro-4-propylbenzoic acid [4-(4-nonylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-nonylcyclohexyl)cyclohexyl] 3-chloro-4-propylbenzoate Traditional Name: 3-chloro-4-propyl-benzoic acid [4-(4-nonylcyclohexyl)cyclohexyl] ester Formula: C31H49ClO2 MolecularWeight: 489.17256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)CCC)Cl

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)CCC)Cl

InChI

InChI=1S/C31H49ClO2/c1-3-5-6-7-8-9-10-12-24-13-15-25(16-14-24)26-19-21-29(22-20-26)34-31(33)28-18-17-27(11-4-2)30(32)23-28/h17-18,23-26,29H,3-16,19-22H2,1-2H3