[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]propyl] tetradecanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]propyl] tetradecanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]propyl] tetradecanoate CAS Name: tetradecanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxododecoxy]propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]propyl] tetradecanoate Traditional Name: myristic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[12-[(7-nitrobenzofurazan-4-yl)amino]dodecanoyloxy]propyl] ester Formula: C37H64N5O11P MolecularWeight: 785.904721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]

InChI

InChI=1S/C37H64N5O11P/c1-2-3-4-5-6-7-8-10-13-16-19-22-34(43)49-29-31(30-51-54(47,48)50-28-26-38)52-35(44)23-20-17-14-11-9-12-15-18-21-27-39-32-24-25-33(42(45)46)37-36(32)40-53-41-37/h24-25,31,39H,2-23,26-30,38H2,1H3,(H,47,48)