3-[ethyl-[4-[(2-nitro-4-octadecoxycarbonyl-phenyl)diazenyl]phenyl]amino]propanoic acid

Systemtic Name: 3-[ethyl-[4-[(2-nitro-4-octadecoxycarbonyl-phenyl)diazenyl]phenyl]amino]propanoic acid Openeye Name: 3-[N-ethyl-4-(2-nitro-4-octadecoxycarbonyl-phenyl)azo-anilino]propanoic acid CAS Name: 3-[N-ethyl-4-[2-nitro-4-[octadecoxy(oxo)methyl]phenyl]azoanilino]propanoic acid IUPAC Name: 3-[N-ethyl-4-[(2-nitro-4-octadecoxycarbonylphenyl)diazenyl]anilino]propanoic acid Traditional Name: 3-[N-ethyl-4-(2-nitro-4-stearyloxycarbonyl-phenyl)azo-anilino]propionic acid Formula: C36H54N4O6 MolecularWeight: 638.83716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(CC)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(CC)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C36H54N4O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-46-36(43)30-20-25-33(34(29-30)40(44)45)38-37-31-21-23-32(24-22-31)39(4-2)27-26-35(41)42/h20-25,29H,3-19,26-28H2,1-2H3,(H,41,42)