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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-decylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-decylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-decylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-decylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-decylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C32H49NO2S MolecularWeight: 511.80196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C32H49NO2S/c1-3-4-5-6-7-8-9-10-11-26-12-14-27(15-13-26)25(2)28-16-18-29(19-17-28)32(34)35-31-22-20-30(21-23-31)33-24-36/h20-23,25-29H,3-19H2,1-2H3