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

Systemtic Name: (4-isothiocyanatophenyl) 4-decyl-3-fluoranyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-decyl-3-fluoro-cyclohexanecarboxylate CAS Name: 4-decyl-3-fluoro-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-decyl-3-fluorocyclohexane-1-carboxylate Traditional Name: 4-decyl-3-fluoro-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C24H34FNO2S MolecularWeight: 419.595663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C24H34FNO2S/c1-2-3-4-5-6-7-8-9-10-19-11-12-20(17-23(19)25)24(27)28-22-15-13-21(14-16-22)26-18-29/h13-16,19-20,23H,2-12,17H2,1H3