(3-fluoranyl-4-isothiocyanato-5-methyl-phenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (3-fluoranyl-4-isothiocyanato-5-methyl-phenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (3-fluoro-4-isothiocyanato-5-methyl-phenyl) 4-(4-methylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-methylcyclohexyl)-1-cyclohexanecarboxylic acid (3-fluoro-4-isothiocyanato-5-methylphenyl) ester IUPAC Name: (3-fluoro-4-isothiocyanato-5-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-methylcyclohexyl)cyclohexanecarboxylic acid (3-fluoro-4-isothiocyanato-5-methyl-phenyl) ester Formula: C22H28FNO2S MolecularWeight: 389.526623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C(=C3)C)N=C=S)F

Isomeric SMILES

CC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C(=C3)C)N=C=S)F

InChI

InChI=1S/C22H28FNO2S/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)22(25)26-19-11-15(2)21(24-13-27)20(23)12-19/h11-12,14,16-18H,3-10H2,1-2H3