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

Systemtic Name: (4-isothiocyanatophenyl) 3-fluoranyl-4-hexyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 3-fluoro-4-hexyl-cyclohexanecarboxylate CAS Name: 3-fluoro-4-hexyl-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 3-fluoro-4-hexylcyclohexane-1-carboxylate Traditional Name: 3-fluoro-4-hexyl-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C20H26FNO2S MolecularWeight: 363.489343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C20H26FNO2S/c1-2-3-4-5-6-15-7-8-16(13-19(15)21)20(23)24-18-11-9-17(10-12-18)22-14-25/h9-12,15-16,19H,2-8,13H2,1H3