(4-isothiocyanatophenyl) 3-fluoranyl-4-nonyl-cyclohexane-1-carboxylate

Systemtic Name: (4-isothiocyanatophenyl) 3-fluoranyl-4-nonyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 3-fluoro-4-nonyl-cyclohexanecarboxylate CAS Name: 3-fluoro-4-nonyl-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 3-fluoro-4-nonylcyclohexane-1-carboxylate Traditional Name: 3-fluoro-4-nonyl-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C23H32FNO2S MolecularWeight: 405.569083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C23H32FNO2S/c1-2-3-4-5-6-7-8-9-18-10-11-19(16-22(18)24)23(26)27-21-14-12-20(13-15-21)25-17-28/h12-15,18-19,22H,2-11,16H2,1H3