3,3-dimethyl-2-oxidanylidene-butanal; dioxidanylbenzene

Systemtic Name: 3,3-dimethyl-2-oxidanylidene-butanal; dioxidanylbenzene Openeye Name: 3,3-dimethyl-2-oxo-butanal; hydroperoxybenzene CAS Name: 3,3-dimethyl-2-oxobutanal; hydroperoxybenzene IUPAC Name: 3,3-dimethyl-2-oxobutanal; hydroperoxybenzene Traditional Name: hydroperoxybenzene; 2-keto-3,3-dimethyl-butyraldehyde Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=O.C1=CC=C(C=C1)OO

Isomeric SMILES

CC(C)(C)C(=O)C=O.C1=CC=C(C=C1)OO

InChI

InChI=1S/C6H6O2.C6H10O2/c7-8-6-4-2-1-3-5-6;1-6(2,3)5(8)4-7/h1-5,7H;4H,1-3H3