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

Systemtic Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromanyl-4-propoxy-benzoate Openeye Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester Formula: C28H43BrO3 MolecularWeight: 507.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43BrO3/c1-3-5-6-7-8-21-9-11-22(12-10-21)23-13-16-25(17-14-23)32-28(30)24-15-18-27(26(29)20-24)31-19-4-2/h15,18,20-23,25H,3-14,16-17,19H2,1-2H3