4-(1,3-benzodioxol-4-yl)-4-methyl-2-oxidanylidene-pentanoic acid

Systemtic Name: 4-(1,3-benzodioxol-4-yl)-4-methyl-2-oxidanylidene-pentanoic acid Openeye Name: 4-(1,3-benzodioxol-4-yl)-4-methyl-2-oxo-pentanoic acid CAS Name: 4-(1,3-benzodioxol-4-yl)-4-methyl-2-oxopentanoic acid IUPAC Name: 4-(1,3-benzodioxol-4-yl)-4-methyl-2-oxopentanoic acid Traditional Name: 4-(1,3-benzodioxol-4-yl)-2-keto-4-methyl-valeric acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(=O)O)C1=C2C(=CC=C1)OCO2

Isomeric SMILES

CC(C)(CC(=O)C(=O)O)C1=C2C(=CC=C1)OCO2

InChI

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