dicarboxy-[4-[(4-dodecyl-2-nitro-phenyl)diazenyl]phenyl]-ethyl-azanium

Systemtic Name: dicarboxy-[4-[(4-dodecyl-2-nitro-phenyl)diazenyl]phenyl]-ethyl-azanium Openeye Name: dicarboxy-[4-(4-dodecyl-2-nitro-phenyl)azophenyl]-ethyl-ammonium CAS Name: dicarboxy-[4-(4-dodecyl-2-nitrophenyl)azophenyl]-ethylammonium IUPAC Name: dicarboxy-[4-[(4-dodecyl-2-nitrophenyl)diazenyl]phenyl]-ethylazanium Traditional Name: dicarboxy-ethyl-[4-(4-lauryl-2-nitro-phenyl)azophenyl]ammonium Formula: C28H39N4O6+ MolecularWeight: 527.63246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](CC)(C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](CC)(C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C28H38N4O6/c1-3-5-6-7-8-9-10-11-12-13-14-22-15-20-25(26(21-22)31(37)38)30-29-23-16-18-24(19-17-23)32(4-2,27(33)34)28(35)36/h15-21H,3-14H2,1-2H3,(H-,33,34,35,36)/p+1