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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-heptylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-heptylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-heptylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-heptylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-heptylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C29H43NO2S MolecularWeight: 469.72222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C29H43NO2S/c1-3-4-5-6-7-8-23-9-11-24(12-10-23)22(2)25-13-15-26(16-14-25)29(31)32-28-19-17-27(18-20-28)30-21-33/h17-20,22-26H,3-16H2,1-2H3