6-(dioxidanylmethyl)-4-methyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-(dioxidanylmethyl)-4-methyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(hydroperoxymethyl)-4-methyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-(hydroperoxymethyl)-4-methyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(hydroperoxymethyl)-4-methylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-(hydroperoxymethyl)-4-methyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C9H12O4 MolecularWeight: 184.18918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C=C1)C(=O)O)COO

Isomeric SMILES

CC1=CC(C(C=C1)C(=O)O)COO

InChI

InChI=1S/C9H12O4/c1-6-2-3-8(9(10)11)7(4-6)5-13-12/h2-4,7-8,12H,5H2,1H3,(H,10,11)