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

Systemtic Name: 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoic acid Openeye Name: 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoic acid CAS Name: 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxyphenoxy]butanoic acid IUPAC Name: 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxyphenoxy]butanoic acid Traditional Name: 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butyric acid Formula: C18H18N2O10 MolecularWeight: 424.34268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1OCCCC(=O)O)OC)[18O]C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O10/c1-27-15-9-12(10-16(28-2)18(15)29-7-3-4-17(21)22)30-14-6-5-11(19(23)24)8-13(14)20(25)26/h5-6,8-10H,3-4,7H2,1-2H3,(H,21,22)/i30+2