1-butanoyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 1-butanoyl-4-oxidanylidene-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-butanoyl-4-oxo-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-oxo-1-(1-oxobutyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 1-butanoyl-4-oxocyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-butyryl-4-keto-cyclohexa-2,5-diene-1-carboxylate Formula: C11H11O4- MolecularWeight: 207.20264

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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)/p-1