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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-octylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-octylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-octylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-octylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-octylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C30H45NO2S MolecularWeight: 483.7488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C30H45NO2S/c1-3-4-5-6-7-8-9-24-10-12-25(13-11-24)23(2)26-14-16-27(17-15-26)30(32)33-29-20-18-28(19-21-29)31-22-34/h18-21,23-27H,3-17H2,1-2H3