2-[4-methyl-4-nitroso-2,3-bis(oxidanylidene)pentoxy]benzoic acid

Systemtic Name: 2-[4-methyl-4-nitroso-2,3-bis(oxidanylidene)pentoxy]benzoic acid Openeye Name: 2-(4-methyl-4-nitroso-2,3-dioxo-pentoxy)benzoic acid CAS Name: 2-(4-methyl-4-nitroso-2,3-dioxopentoxy)benzoic acid IUPAC Name: 2-(4-methyl-4-nitroso-2,3-dioxopentoxy)benzoic acid Traditional Name: 2-(2,3-diketo-4-methyl-4-nitroso-pentoxy)benzoic acid Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(=O)COC1=CC=CC=C1C(=O)O)N=O

Isomeric SMILES

CC(C)(C(=O)C(=O)COC1=CC=CC=C1C(=O)O)N=O

InChI

InChI=1S/C13H13NO6/c1-13(2,14-19)11(16)9(15)7-20-10-6-4-3-5-8(10)12(17)18/h3-6H,7H2,1-2H3,(H,17,18)