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

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromanyl-4-octoxy-benzoate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromo-4-octoxy-benzoate CAS Name: 3-bromo-4-octoxybenzoic acid [4-(4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromo-4-octoxybenzoate Traditional Name: 3-bromo-4-octoxy-benzoic acid [4-(4-amylcyclohexyl)cyclohexyl] ester Formula: C32H51BrO3 MolecularWeight: 563.64954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H51BrO3/c1-3-5-7-8-9-11-23-35-31-22-19-28(24-30(31)33)32(34)36-29-20-17-27(18-21-29)26-15-13-25(14-16-26)12-10-6-4-2/h19,22,24-27,29H,3-18,20-21,23H2,1-2H3