[4-(4-heptylcyclohexyl)cyclohexyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(4-heptylcyclohexyl)cyclohexyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(4-heptylcyclohexyl)cyclohexyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-(4-heptylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-heptylcyclohexyl)cyclohexyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-(4-heptylcyclohexyl)cyclohexyl] ester Formula: C34H55FO3 MolecularWeight: 530.797103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCCCC)F

InChI

InChI=1S/C34H55FO3/c1-3-5-7-9-11-13-25-37-33-24-21-30(26-32(33)35)34(36)38-31-22-19-29(20-23-31)28-17-15-27(16-18-28)14-12-10-8-6-4-2/h21,24,26-29,31H,3-20,22-23,25H2,1-2H3