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

Systemtic Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromanyl-4-propoxy-benzoate Openeye Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-butylcyclohexyl)cyclohexyl] 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester Formula: C26H39BrO3 MolecularWeight: 479.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39BrO3/c1-3-5-6-19-7-9-20(10-8-19)21-11-14-23(15-12-21)30-26(28)22-13-16-25(24(27)18-22)29-17-4-2/h13,16,18-21,23H,3-12,14-15,17H2,1-2H3