5-(1,3-benzodioxol-5-yl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-5-oxopentanoic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-5-keto-3-methyl-valeric acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5/c1-8(5-13(15)16)4-10(14)9-2-3-11-12(6-9)18-7-17-11/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)