2-hexadecyl-3,5-dinitro-benzoic acid

Systemtic Name: 2-hexadecyl-3,5-dinitro-benzoic acid Openeye Name: 2-hexadecyl-3,5-dinitro-benzoic acid CAS Name: 2-hexadecyl-3,5-dinitrobenzoic acid IUPAC Name: 2-hexadecyl-3,5-dinitrobenzoic acid Traditional Name: 2-cetyl-3,5-dinitro-benzoic acid Formula: C23H36N2O6 MolecularWeight: 436.54174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H36N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(23(26)27)17-19(24(28)29)18-22(20)25(30)31/h17-18H,2-16H2,1H3,(H,26,27)