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

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromanyl-4-nonoxy-benzoate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromo-4-nonoxy-benzoate CAS Name: 3-bromo-4-nonoxybenzoic acid [4-(4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-bromo-4-nonoxybenzoate Traditional Name: 3-bromo-4-nonoxy-benzoic acid [4-(4-amylcyclohexyl)cyclohexyl] ester Formula: C33H53BrO3 MolecularWeight: 577.67612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)Br

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)Br

InChI

InChI=1S/C33H53BrO3/c1-3-5-7-8-9-10-12-24-36-32-23-20-29(25-31(32)34)33(35)37-30-21-18-28(19-22-30)27-16-14-26(15-17-27)13-11-6-4-2/h20,23,25-28,30H,3-19,21-22,24H2,1-2H3