S-[2-[[5-bromanylpentoxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate

Systemtic Name: S-[2-[[5-bromanylpentoxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate Openeye Name: S-[2-[[5-bromopentoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] N-heptadecylcarbamothioate CAS Name: N-heptadecylcarbamothioic acid S-[[2-[[5-bromopentoxy(hydroxy)phosphoryl]oxymethyl]-3-oxanyl]] ester IUPAC Name: S-[2-[[5-bromopentoxy(hydroxy)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate Traditional Name: N-heptadecylthiocarbamic acid S-[2-[[5-bromopentoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] ester Formula: C29H57BrNO6PS MolecularWeight: 658.708741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCCCCBr

InChI

InChI=1S/C29H57BrNO6PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-31-29(32)39-28-21-20-24-35-27(28)26-37-38(33,34)36-25-19-16-17-22-30/h27-28H,2-26H2,1H3,(H,31,32)(H,33,34)