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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-nonylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-nonylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-nonylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-nonylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-nonylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C31H47NO2S MolecularWeight: 497.77538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C31H47NO2S/c1-3-4-5-6-7-8-9-10-25-11-13-26(14-12-25)24(2)27-15-17-28(18-16-27)31(33)34-30-21-19-29(20-22-30)32-23-35/h19-22,24-28H,3-18H2,1-2H3