4-[[4-[dimethyl(oxidanidyl)azaniumyl]-3-hexadecoxy-phenyl]diazenyl]-2-hexadecoxy-N,N-dimethyl-benzeneamine oxide

Systemtic Name: 4-[[4-[dimethyl(oxidanidyl)azaniumyl]-3-hexadecoxy-phenyl]diazenyl]-2-hexadecoxy-N,N-dimethyl-benzeneamine oxide Openeye Name: 4-[4-[dimethyl(oxido)ammonio]-3-hexadecoxy-phenyl]azo-2-hexadecoxy-N,N-dimethyl-benzeneamine oxide CAS Name: 4-[4-[dimethyl(oxido)ammonio]-3-hexadecoxyphenyl]azo-2-hexadecoxy-N,N-dimethylbenzeneamine oxide IUPAC Name: 4-[[4-[dimethyl(oxido)azaniumyl]-3-hexadecoxyphenyl]diazenyl]-2-hexadecoxy-N,N-dimethylbenzeneamine oxide Traditional Name: 2-cetyloxy-4-[3-cetyloxy-4-[dimethyl(oxido)ammonio]phenyl]azo-N,N-dimethyl-benzeneamine oxide Formula: C48H84N4O4 MolecularWeight: 781.20496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)[N+](C)(C)[O-])OCCCCCCCCCCCCCCCC)[N+](C)(C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)[N+](C)(C)[O-])OCCCCCCCCCCCCCCCC)[N+](C)(C)[O-]

InChI

InChI=1S/C48H84N4O4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-55-47-41-43(35-37-45(47)51(3,4)53)49-50-44-36-38-46(52(5,6)54)48(42-44)56-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h35-38,41-42H,7-34,39-40H2,1-6H3