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

Systemtic Name: (4-isothiocyanatophenyl) 4-dodecyl-3-fluoranyl-cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-dodecyl-3-fluoro-cyclohexanecarboxylate CAS Name: 4-dodecyl-3-fluoro-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-dodecyl-3-fluorocyclohexane-1-carboxylate Traditional Name: 3-fluoro-4-lauryl-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C26H38FNO2S MolecularWeight: 447.648823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCCCCCCC1CCC(CC1F)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C26H38FNO2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-14-22(19-25(21)27)26(29)30-24-17-15-23(16-18-24)28-20-31/h15-18,21-22,25H,2-14,19H2,1H3