(N,N'-dicyclohexylcarbamimidoyl) (9S,10S)-9,10-bis(methylsulfonyloxy)octadecanoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) (9S,10S)-9,10-bis(methylsulfonyloxy)octadecanoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) (9S,10S)-9,10-bis(methylsulfonyloxy)octadecanoate CAS Name: (9S,10S)-9,10-bis(methylsulfonyloxy)octadecanoic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) (9S,10S)-9,10-bis(methylsulfonyloxy)octadecanoate Traditional Name: (9S,10S)-9,10-bis(methylsulfonyloxy)stearic acid (N,N'-dicyclohexylamidino) ester Formula: C33H62N2O8S2 MolecularWeight: 678.98398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)OC(=NC1CCCCC1)NC2CCCCC2)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCC[C@@H]([C@H](CCCCCCCC(=O)OC(=NC1CCCCC1)NC2CCCCC2)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C33H62N2O8S2/c1-4-5-6-7-9-18-25-30(42-44(2,37)38)31(43-45(3,39)40)26-19-10-8-11-20-27-32(36)41-33(34-28-21-14-12-15-22-28)35-29-23-16-13-17-24-29/h28-31H,4-27H2,1-3H3,(H,34,35)/t30-,31-/m0/s1