4-[(4-azanyl-3-octadecoxy-phenyl)diazenyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-azanyl-3-octadecoxy-phenyl)diazenyl]-3-nitro-benzoic acid Openeye Name: 4-(4-amino-3-octadecoxy-phenyl)azo-3-nitro-benzoic acid CAS Name: 4-(4-amino-3-octadecoxyphenyl)azo-3-nitrobenzoic acid IUPAC Name: 4-[(4-amino-3-octadecoxyphenyl)diazenyl]-3-nitrobenzoic acid Traditional Name: 4-(4-amino-3-stearyloxy-phenyl)azo-3-nitro-benzoic acid Formula: C31H46N4O5 MolecularWeight: 554.72074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C31H46N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-30-24-26(19-20-27(30)32)33-34-28-21-18-25(31(36)37)23-29(28)35(38)39/h18-21,23-24H,2-17,22,32H2,1H3,(H,36,37)