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

Systemtic Name: (4-isothiocyanatophenyl) 3-fluoranyl-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 3-fluoro-4-pentyl-cyclohexanecarboxylate CAS Name: 3-fluoro-4-pentyl-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 3-fluoro-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-3-fluoro-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C19H24FNO2S MolecularWeight: 349.462763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C19H24FNO2S/c1-2-3-4-5-14-6-7-15(12-18(14)20)19(22)23-17-10-8-16(9-11-17)21-13-24/h8-11,14-15,18H,2-7,12H2,1H3