4-[4-(2,6-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoic acid

Systemtic Name: 4-[4-(2,6-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoic acid Openeye Name: 4-[4-(2,6-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoic acid CAS Name: 4-[4-(2,6-dinitrophenoxy)-2,6-dimethoxyphenoxy]butanoic acid IUPAC Name: 4-[4-(2,6-dinitrophenoxy)-2,6-dimethoxyphenoxy]butanoic acid Traditional Name: 4-[4-(2,6-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butyric acid Formula: C18H18N2O10 MolecularWeight: 422.34292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCCC(=O)O)OC)OC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OCCCC(=O)O)OC)OC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O10/c1-27-14-9-11(10-15(28-2)18(14)29-8-4-7-16(21)22)30-17-12(19(23)24)5-3-6-13(17)20(25)26/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,22)