[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-phosphonooxy-propyl] hexadecanoate

Systemtic Name: [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-phosphonooxy-propyl] hexadecanoate Openeye Name: [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-phosphonooxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxohexoxy]-3-phosphonooxypropyl] ester IUPAC Name: [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-phosphonooxypropyl] hexadecanoate Traditional Name: palmitic acid [2-[6-[(7-nitrobenzofurazan-4-yl)amino]hexanoyloxy]-3-phosphonooxy-propyl] ester Formula: C31H51N4O11P MolecularWeight: 686.730601

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C31H51N4O11P/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)