S-[2-[[2-bromoethyloxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-octadecylcarbamothioate

Systemtic Name: S-[2-[[2-bromoethyloxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-octadecylcarbamothioate Openeye Name: S-[2-[[2-bromoethoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] N-octadecylcarbamothioate CAS Name: N-octadecylcarbamothioic acid S-[[2-[[2-bromoethoxy(hydroxy)phosphoryl]oxymethyl]-3-oxanyl]] ester IUPAC Name: S-[2-[[2-bromoethoxy(hydroxy)phosphoryl]oxymethyl]oxan-3-yl] N-octadecylcarbamothioate Traditional Name: N-stearylthiocarbamic acid S-[2-[[2-bromoethoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] ester Formula: C27H53BrNO6PS MolecularWeight: 630.655581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCBr

InChI

InChI=1S/C27H53BrNO6PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-27(30)37-26-19-18-22-33-25(26)24-35-36(31,32)34-23-20-28/h25-26H,2-24H2,1H3,(H,29,30)(H,31,32)