S-[2-[[4-bromanylbutoxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate

Systemtic Name: S-[2-[[4-bromanylbutoxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate Openeye Name: S-[2-[[4-bromobutoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] N-heptadecylcarbamothioate CAS Name: N-heptadecylcarbamothioic acid S-[[2-[[4-bromobutoxy(hydroxy)phosphoryl]oxymethyl]-3-oxanyl]] ester IUPAC Name: S-[2-[[4-bromobutoxy(hydroxy)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate Traditional Name: N-heptadecylthiocarbamic acid S-[2-[[4-bromobutoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] ester Formula: C28H55BrNO6PS MolecularWeight: 644.682161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCCCBr

InChI

InChI=1S/C28H55BrNO6PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-30-28(31)38-27-20-19-23-34-26(27)25-36-37(32,33)35-24-18-16-21-29/h26-27H,2-25H2,1H3,(H,30,31)(H,32,33)