[4-(4-butylcyclohexyl)cyclohexyl] 3-bromanyl-4-octoxy-benzoate

Systemtic Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromanyl-4-octoxy-benzoate Openeye Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-octoxy-benzoate CAS Name: 3-bromo-4-octoxybenzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-octoxybenzoate Traditional Name: 3-bromo-4-octoxy-benzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester Formula: C31H49BrO3 MolecularWeight: 549.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCC)Br

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCC)Br

InChI

InChI=1S/C31H49BrO3/c1-3-5-7-8-9-10-22-34-30-21-18-27(23-29(30)32)31(33)35-28-19-16-26(17-20-28)25-14-12-24(13-15-25)11-6-4-2/h18,21,23-26,28H,3-17,19-20,22H2,1-2H3