2-(3-methylbutanoyl)-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-(3-methylbutanoyl)-3-oxidanylidene-inden-1-olate Openeye Name: 2-(3-methylbutanoyl)-3-oxo-inden-1-olate CAS Name: 2-(3-methyl-1-oxobutyl)-3-oxo-1-indenolate IUPAC Name: 2-(3-methylbutanoyl)-3-oxoinden-1-olate Traditional Name: 2-isovaleryl-3-keto-inden-1-olate Formula: C14H13O3- MolecularWeight: 229.25122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-]

Isomeric SMILES

CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-]

InChI

InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,16H,7H2,1-2H3/p-1