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

Systemtic Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester Formula: C29H45BrO3 MolecularWeight: 521.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCC)Br

InChI

InChI=1S/C29H45BrO3/c1-3-5-7-8-20-32-28-19-16-25(21-27(28)30)29(31)33-26-17-14-24(15-18-26)23-12-10-22(11-13-23)9-6-4-2/h16,19,21-24,26H,3-15,17-18,20H2,1-2H3