2-[2,5-dimethyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]ethanoate

Systemtic Name: 2-[2,5-dimethyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]ethanoate Openeye Name: 2-[2,5-dimethyl-4-(2-oxido-2-oxo-ethyl)phenyl]acetate CAS Name: 2-[2,5-dimethyl-4-(2-oxido-2-oxoethyl)phenyl]acetate IUPAC Name: 2-[2,5-dimethyl-4-(2-oxido-2-oxoethyl)phenyl]acetate Traditional Name: 2-[4-(2-keto-2-oxido-ethyl)-2,5-dimethyl-phenyl]acetate Formula: C12H12O4-2 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CC(=O)[O-])C)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1CC(=O)[O-])C)CC(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-7-3-10(6-12(15)16)8(2)4-9(7)5-11(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)/p-2