16-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-16-oxidanylidene-hexadecanoic acid

Systemtic Name: 16-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-16-oxidanylidene-hexadecanoic acid Openeye Name: 16-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-16-oxo-hexadecanoic acid CAS Name: 16-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-16-oxohexadecanoic acid IUPAC Name: 16-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-16-oxohexadecanoic acid Traditional Name: 16-keto-16-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]palmitic acid Formula: C22H37N3O6 MolecularWeight: 439.54568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCCCCCCCCCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCCCCCCCCCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H37N3O6/c1-19-23-18-20(25(29)30)24(19)16-17-31-22(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-21(26)27/h18H,2-17H2,1H3,(H,26,27)