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

Systemtic Name: (4-isothiocyanatophenyl) 3-fluoranyl-4-octyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 3-fluoro-4-octyl-cyclohexanecarboxylate CAS Name: 3-fluoro-4-octyl-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 3-fluoro-4-octylcyclohexane-1-carboxylate Traditional Name: 3-fluoro-4-octyl-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C22H30FNO2S MolecularWeight: 391.542503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C22H30FNO2S/c1-2-3-4-5-6-7-8-17-9-10-18(15-21(17)23)22(25)26-20-13-11-19(12-14-20)24-16-27/h11-14,17-18,21H,2-10,15H2,1H3