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

Systemtic Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester Formula: C29H45BrO3 MolecularWeight: 521.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCC)Br

Isomeric SMILES

CCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCC)Br

InChI

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