4-[[4-[methyl(octadecyl)amino]phenyl]diazenyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[4-[methyl(octadecyl)amino]phenyl]diazenyl]-3-nitro-benzoic acid Openeye Name: 4-[4-[methyl(octadecyl)amino]phenyl]azo-3-nitro-benzoic acid CAS Name: 4-[4-[methyl(octadecyl)amino]phenyl]azo-3-nitrobenzoic acid IUPAC Name: 4-[[4-[methyl(octadecyl)amino]phenyl]diazenyl]-3-nitrobenzoic acid Traditional Name: 4-[4-[methyl(stearyl)amino]phenyl]azo-3-nitro-benzoic acid Formula: C32H48N4O4 MolecularWeight: 552.74792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-35(2)29-22-20-28(21-23-29)33-34-30-24-19-27(32(37)38)26-31(30)36(39)40/h19-24,26H,3-18,25H2,1-2H3,(H,37,38)