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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-undecylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-undecylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-undecylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-undecylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-undecylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C33H51NO2S MolecularWeight: 525.82854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C33H51NO2S/c1-3-4-5-6-7-8-9-10-11-12-27-13-15-28(16-14-27)26(2)29-17-19-30(20-18-29)33(35)36-32-23-21-31(22-24-32)34-25-37/h21-24,26-30H,3-20H2,1-2H3