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

Systemtic Name: (4-isothiocyanatophenyl) 4-[1-(4-dodecylcyclohexyl)ethyl]cyclohexane-1-carboxylate Openeye Name: (4-isothiocyanatophenyl) 4-[1-(4-dodecylcyclohexyl)ethyl]cyclohexanecarboxylate CAS Name: 4-[1-(4-dodecylcyclohexyl)ethyl]-1-cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 4-[1-(4-dodecylcyclohexyl)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-[1-(4-laurylcyclohexyl)ethyl]cyclohexanecarboxylic acid (4-isothiocyanatophenyl) ester Formula: C34H53NO2S MolecularWeight: 539.85512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCCCCCC1CCC(CC1)C(C)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C34H53NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-28-14-16-29(17-15-28)27(2)30-18-20-31(21-19-30)34(36)37-33-24-22-32(23-25-33)35-26-38/h22-25,27-31H,3-21H2,1-2H3