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

Systemtic Name: 3-[methyl-[4-[(2-nitro-4-octadecoxycarbonyl-phenyl)diazenyl]phenyl]amino]propanoic acid Openeye Name: 3-[N-methyl-4-(2-nitro-4-octadecoxycarbonyl-phenyl)azo-anilino]propanoic acid CAS Name: 3-[N-methyl-4-[2-nitro-4-[octadecoxy(oxo)methyl]phenyl]azoanilino]propanoic acid IUPAC Name: 3-[N-methyl-4-[(2-nitro-4-octadecoxycarbonylphenyl)diazenyl]anilino]propanoic acid Traditional Name: 3-[N-methyl-4-(2-nitro-4-stearyloxycarbonyl-phenyl)azo-anilino]propionic acid Formula: C35H52N4O6 MolecularWeight: 624.81058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52N4O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-45-35(42)29-19-24-32(33(28-29)39(43)44)37-36-30-20-22-31(23-21-30)38(2)26-25-34(40)41/h19-24,28H,3-18,25-27H2,1-2H3,(H,40,41)