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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-hexylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-hexylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-hexylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-hexylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-hexylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C28H41NO2S MolecularWeight: 455.69564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C28H41NO2S/c1-3-4-5-6-7-22-8-10-23(11-9-22)21(2)24-12-14-25(15-13-24)28(30)31-27-18-16-26(17-19-27)29-20-32/h16-19,21-25H,3-15H2,1-2H3