1-butanoyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-butanoyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-butanoyl-4-oxo-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-oxo-1-(1-oxobutyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-butanoyl-4-oxocyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-butyryl-4-keto-cyclohexa-2,5-diene-1-carboxylic acid Formula: C11H12O4 MolecularWeight: 208.21058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C=CC(=O)C=C1)C(=O)O

Isomeric SMILES

CCCC(=O)C1(C=CC(=O)C=C1)C(=O)O

InChI

InChI=1S/C11H12O4/c1-2-3-9(13)11(10(14)15)6-4-8(12)5-7-11/h4-7H,2-3H2,1H3,(H,14,15)