2,6-dimethyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid; ethanal

Systemtic Name: 2,6-dimethyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid; ethanal Openeye Name: acetaldehyde; 2,6-dimethyl-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: acetaldehyde; 2,6-dimethyl-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: acetaldehyde; 2,6-dimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: acetaldehyde; 4-keto-2,6-dimethyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C11H14O4 MolecularWeight: 210.22646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3.C2H4O/c1-5-3-7(10)4-6(2)8(5)9(11)12;1-2-3/h3H,4H2,1-2H3,(H,11,12);2H,1H3