S-[2-[[6-bromanylhexoxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate

Systemtic Name: S-[2-[[6-bromanylhexoxy(oxidanyl)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate Openeye Name: S-[2-[[6-bromohexoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] N-heptadecylcarbamothioate CAS Name: N-heptadecylcarbamothioic acid S-[[2-[[6-bromohexoxy(hydroxy)phosphoryl]oxymethyl]-3-oxanyl]] ester IUPAC Name: S-[2-[[6-bromohexoxy(hydroxy)phosphoryl]oxymethyl]oxan-3-yl] N-heptadecylcarbamothioate Traditional Name: N-heptadecylthiocarbamic acid S-[2-[[6-bromohexoxy(hydroxy)phosphoryl]oxymethyl]tetrahydropyran-3-yl] ester Formula: C30H59BrNO6PS MolecularWeight: 672.735321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COP(=O)(O)OCCCCCCBr

InChI

InChI=1S/C30H59BrNO6PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24-32-30(33)40-29-22-21-25-36-28(29)27-38-39(34,35)37-26-20-17-15-18-23-31/h28-29H,2-27H2,1H3,(H,32,33)(H,34,35)