O5-[1-decoxy-3-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-propan-2-yl] O1-(4-nitrophenyl) pentanedioate

Systemtic Name: O5-[1-decoxy-3-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-propan-2-yl] O1-(4-nitrophenyl) pentanedioate Openeye Name: O5-[1-(decoxymethyl)-2-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-ethyl] O1-(4-nitrophenyl) pentanedioate CAS Name: pentanedioic acid O5-[1-decoxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] ester O1-(4-nitrophenyl) ester IUPAC Name: 5-O-[1-decoxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 1-O-(4-nitrophenyl) pentanedioate Traditional Name: glutaric acid O5-[1-(decoxymethyl)-2-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-ethyl] ester O1-(4-nitrophenyl) ester Formula: C27H45N2O11P MolecularWeight: 604.626761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(COP(=O)(O)OCCNC)OC(=O)CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOCC(COP(=O)(O)OCCNC)OC(=O)CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C27H45N2O11P/c1-3-4-5-6-7-8-9-10-19-36-21-25(22-38-41(34,35)37-20-18-28-2)40-27(31)13-11-12-26(30)39-24-16-14-23(15-17-24)29(32)33/h14-17,25,28H,3-13,18-22H2,1-2H3,(H,34,35)