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

Systemtic Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester Formula: C27H41BrO3 MolecularWeight: 493.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCC)Br

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCC)Br

InChI

InChI=1S/C27H41BrO3/c1-3-5-7-20-8-10-21(11-9-20)22-12-15-24(16-13-22)31-27(29)23-14-17-26(25(28)19-23)30-18-6-4-2/h14,17,19-22,24H,3-13,15-16,18H2,1-2H3