[2-bromanyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate

Systemtic Name: [2-bromanyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate Openeye Name: [2-bromo-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [2-bromo-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [2-bromo-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[2-(4-amylcyclohexyl)ethyl]-2-bromo-phenyl] ester Formula: C34H49BrO3 MolecularWeight: 585.65506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCC3CCC(CC3)CCCCC)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCC3CCC(CC3)CCCCC)Br

InChI

InChI=1S/C34H49BrO3/c1-3-5-7-8-9-11-25-37-31-22-20-30(21-23-31)34(36)38-33-24-19-29(26-32(33)35)18-17-28-15-13-27(14-16-28)12-10-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3