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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-butylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-butylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-butylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-butylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-butylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C26H37NO2S MolecularWeight: 427.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C26H37NO2S/c1-3-4-5-20-6-8-21(9-7-20)19(2)22-10-12-23(13-11-22)26(28)29-25-16-14-24(15-17-25)27-18-30/h14-17,19-23H,3-13H2,1-2H3