4-(7-bromanyl-1,3-benzodioxol-4-yl)-4-methyl-2-oxidanylidene-pentanoic acid

Systemtic Name: 4-(7-bromanyl-1,3-benzodioxol-4-yl)-4-methyl-2-oxidanylidene-pentanoic acid Openeye Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-4-methyl-2-oxo-pentanoic acid CAS Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-4-methyl-2-oxopentanoic acid IUPAC Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-4-methyl-2-oxopentanoic acid Traditional Name: 4-(7-bromo-1,3-benzodioxol-4-yl)-2-keto-4-methyl-valeric acid Formula: C13H13BrO5 MolecularWeight: 329.14332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrO5/c1-13(2,5-9(15)12(16)17)7-3-4-8(14)11-10(7)18-6-19-11/h3-4H,5-6H2,1-2H3,(H,16,17)