12-(4-azido-2-nitro-phenoxy)octadecanoic acid

Systemtic Name: 12-(4-azido-2-nitro-phenoxy)octadecanoic acid Openeye Name: 12-(4-azido-2-nitro-phenoxy)octadecanoic acid CAS Name: 12-(4-azido-2-nitrophenoxy)octadecanoic acid IUPAC Name: 12-(4-azido-2-nitrophenoxy)octadecanoic acid Traditional Name: 12-(4-azido-2-nitro-phenoxy)stearic acid Formula: C24H38N4O5 MolecularWeight: 462.58232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)OC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)OC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C24H38N4O5/c1-2-3-4-11-14-21(15-12-9-7-5-6-8-10-13-16-24(29)30)33-23-18-17-20(26-27-25)19-22(23)28(31)32/h17-19,21H,2-16H2,1H3,(H,29,30)