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

Systemtic Name: (4-isothiocyanatophenyl) 3-fluoranyl-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 3-fluoro-4-heptyl-cyclohexanecarboxylate CAS Name: 3-fluoro-4-heptyl-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 3-fluoro-4-heptylcyclohexane-1-carboxylate Traditional Name: 3-fluoro-4-heptyl-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C21H28FNO2S MolecularWeight: 377.515923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C21H28FNO2S/c1-2-3-4-5-6-7-16-8-9-17(14-20(16)22)21(24)25-19-12-10-18(11-13-19)23-15-26/h10-13,16-17,20H,2-9,14H2,1H3