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

Systemtic Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromanyl-4-nonoxy-benzoate Openeye Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-nonoxy-benzoate CAS Name: 3-bromo-4-nonoxybenzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-hexylcyclohexyl)cyclohexyl] 3-bromo-4-nonoxybenzoate Traditional Name: 3-bromo-4-nonoxy-benzoic acid [4-(4-hexylcyclohexyl)cyclohexyl] ester Formula: C34H55BrO3 MolecularWeight: 591.7027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H55BrO3/c1-3-5-7-9-10-11-13-25-37-33-24-21-30(26-32(33)35)34(36)38-31-22-19-29(20-23-31)28-17-15-27(16-18-28)14-12-8-6-4-2/h21,24,26-29,31H,3-20,22-23,25H2,1-2H3