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

Systemtic Name: 2-[3-methyl-3-nitroso-2,4-bis(oxidanylidene)hexoxy]benzoic acid Openeye Name: 2-(3-methyl-3-nitroso-2,4-dioxo-hexoxy)benzoic acid CAS Name: 2-(3-methyl-3-nitroso-2,4-dioxohexoxy)benzoic acid IUPAC Name: 2-(3-methyl-3-nitroso-2,4-dioxohexoxy)benzoic acid Traditional Name: 2-(2,4-diketo-3-methyl-3-nitroso-hexoxy)benzoic acid Formula: C14H15NO6 MolecularWeight: 293.272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6/c1-3-11(16)14(2,15-20)12(17)8-21-10-7-5-4-6-9(10)13(18)19/h4-7H,3,8H2,1-2H3,(H,18,19)