4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-keto-2,2-dimethyl-butyric acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C13H14O5/c1-13(2,12(15)16)6-9(14)8-3-4-10-11(5-8)18-7-17-10/h3-5H,6-7H2,1-2H3,(H,15,16)