2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanyl-pentanoate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-methyl-3-oxidanyl-pentanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-pentanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methylpentanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methylpentanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methyl-valerate Formula: C13H15O5- MolecularWeight: 251.2552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC2=C(C=C1)OCO2)C(=O)[O-])O

Isomeric SMILES

CC(C)C(C(C1=CC2=C(C=C1)OCO2)C(=O)[O-])O

InChI

InChI=1S/C13H16O5/c1-7(2)12(14)11(13(15)16)8-3-4-9-10(5-8)18-6-17-9/h3-5,7,11-12,14H,6H2,1-2H3,(H,15,16)/p-1