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

Systemtic Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester Formula: C31H49BrO3 MolecularWeight: 549.62296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49BrO3/c1-3-5-7-9-11-24-12-14-25(15-13-24)26-16-19-28(20-17-26)35-31(33)27-18-21-30(29(32)23-27)34-22-10-8-6-4-2/h18,21,23-26,28H,3-17,19-20,22H2,1-2H3