[(2R)-2-decanoyloxy-3-[11-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]undecoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2-decanoyloxy-3-[11-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]undecoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-decanoyloxy-3-[11-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]undecoxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-3-[11-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]undecoxy]-2-(1-oxodecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-decanoyloxy-3-[11-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]undecoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-capryloxy-3-[11-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]undecoxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H74N5O9PS MolecularWeight: 868.114521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(COCCCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C43H74N5O9PS/c1-7-8-9-10-14-17-20-23-43(49)57-41(37-56-58(50,51)55-35-33-48(4,5)6)36-54-34-22-19-16-13-11-12-15-18-21-32-44-59(52,53)42-30-26-39(27-31-42)46-45-38-24-28-40(29-25-38)47(2)3/h24-31,41,44H,7-23,32-37H2,1-6H3/t41-/m1/s1