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

Systemtic Name: (4-isothiocyanatophenyl) 3-fluoranyl-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 3-fluoro-4-propyl-cyclohexanecarboxylate CAS Name: 3-fluoro-4-propyl-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 3-fluoro-4-propylcyclohexane-1-carboxylate Traditional Name: 3-fluoro-4-propyl-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C17H20FNO2S MolecularWeight: 321.409603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C17H20FNO2S/c1-2-3-12-4-5-13(10-16(12)18)17(20)21-15-8-6-14(7-9-15)19-11-22/h6-9,12-13,16H,2-5,10H2,1H3