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

Systemtic Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromanyl-4-pentoxy-benzoate Openeye Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-pentoxy-benzoate CAS Name: 3-bromo-4-pentoxybenzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-pentoxybenzoate Traditional Name: 4-amoxy-3-bromo-benzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester Formula: C28H43BrO3 MolecularWeight: 507.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCC)Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCC)Br

InChI

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