(4-isothiocyanatophenyl) 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexane-1-carboxylate

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-pentylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-amylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C27H39NO2S/c1-3-4-5-6-21-7-9-22(10-8-21)20(2)23-11-13-24(14-12-23)27(29)30-26-17-15-25(16-18-26)28-19-31/h15-18,20-24H,3-14H2,1-2H3