[3-[12-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-3-yl]oxydodecoxy]-2-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-[12-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-3-yl]oxydodecoxy]-2-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-[12-[9-(diethylamino)-5-oxo-benzo[a]phenoxazin-3-yl]oxydodecoxy]-2-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-[12-[[9-(diethylamino)-5-oxo-3-benzo[a]phenoxazinyl]oxy]dodecoxy]-2-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxoundecoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-[12-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-3-yl]oxydodecoxy]-2-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-[12-[9-(diethylamino)-5-keto-benzo[a]phenoxazin-3-yl]oxydodecoxy]-2-[11-[(7-nitrobenzofurazan-4-yl)amino]undecanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C57H82N7O13P MolecularWeight: 1104.273841

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=C(C=C4)OCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])C(=O)C=C3O2

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=C(C=C4)OCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])C(=O)C=C3O2

InChI

InChI=1S/C57H82N7O13P/c1-6-62(7-2)43-27-30-48-52(38-43)76-53-40-51(65)47-39-44(28-29-46(47)55(53)59-48)72-36-25-21-17-13-9-8-12-16-20-24-35-71-41-45(42-74-78(69,70)73-37-34-64(3,4)5)75-54(66)26-22-18-14-10-11-15-19-23-33-58-49-31-32-50(63(67)68)57-56(49)60-77-61-57/h27-32,38-40,45H,6-26,33-37,41-42H2,1-5H3,(H-,58,61,69,70)