[4-(2-fluoranyl-4-heptyl-phenyl)phenyl] 4,4-dipentylcyclohexane-1-carboxylate

Systemtic Name: [4-(2-fluoranyl-4-heptyl-phenyl)phenyl] 4,4-dipentylcyclohexane-1-carboxylate Openeye Name: [4-(2-fluoro-4-heptyl-phenyl)phenyl] 4,4-dipentylcyclohexanecarboxylate CAS Name: 4,4-dipentyl-1-cyclohexanecarboxylic acid [4-(2-fluoro-4-heptylphenyl)phenyl] ester IUPAC Name: [4-(2-fluoro-4-heptylphenyl)phenyl] 4,4-dipentylcyclohexane-1-carboxylate Traditional Name: 4,4-diamylcyclohexanecarboxylic acid [4-(2-fluoro-4-heptyl-phenyl)phenyl] ester Formula: C36H53FO2 MolecularWeight: 536.803223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCC)CCCCC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCC)CCCCC)F

InChI

InChI=1S/C36H53FO2/c1-4-7-10-11-12-15-29-16-21-33(34(37)28-29)30-17-19-32(20-18-30)39-35(38)31-22-26-36(27-23-31,24-13-8-5-2)25-14-9-6-3/h16-21,28,31H,4-15,22-27H2,1-3H3