sodium [3-hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] phosphate

Systemtic Name: sodium [3-hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] phosphate Openeye Name: sodium [3-hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] phosphate CAS Name: sodium [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxohexoxy]-3-(1-oxohexadecoxy)propyl] phosphate IUPAC Name: sodium [3-hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] phosphate Traditional Name: sodium [3-hexadecanoyloxy-2-[6-[(7-nitrobenzofurazan-4-yl)amino]hexanoyloxy]propyl] phosphate Formula: C31H49N4NaO11P- MolecularWeight: 707.704491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C31H51N4O11P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-28(36)43-23-25(24-44-47(40,41)42)45-29(37)19-16-14-17-22-32-26-20-21-27(35(38)39)31-30(26)33-46-34-31;/h20-21,25,32H,2-19,22-24H2,1H3,(H2,40,41,42);/q;+1/p-2