5-(2,6-dimethyl-4-nitro-phenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid

Systemtic Name: 5-(2,6-dimethyl-4-nitro-phenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid Openeye Name: 5-(2,6-dimethyl-4-nitro-phenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid CAS Name: 5-(2,6-dimethyl-4-nitrophenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid IUPAC Name: 5-(2,6-dimethyl-4-nitrophenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid Traditional Name: 5-(2,6-dimethyl-4-nitro-phenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid Formula: C19H21NO8 MolecularWeight: 391.37194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OCOCCOC)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OCOCCOC)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO8/c1-12-8-14(20(23)24)9-13(2)18(12)28-15-4-5-17(16(10-15)19(21)22)27-11-26-7-6-25-3/h4-5,8-10H,6-7,11H2,1-3H3,(H,21,22)