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

Systemtic Name: (4-isothiocyanatophenyl) 4-butyl-3-fluoranyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-butyl-3-fluoro-cyclohexanecarboxylate CAS Name: 4-butyl-3-fluoro-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-butyl-3-fluorocyclohexane-1-carboxylate Traditional Name: 4-butyl-3-fluoro-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C18H22FNO2S MolecularWeight: 335.436183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C18H22FNO2S/c1-2-3-4-13-5-6-14(11-17(13)19)18(21)22-16-9-7-15(8-10-16)20-12-23/h7-10,13-14,17H,2-6,11H2,1H3