2-(1,3-benzodioxol-5-yl)-5-oxidanylidene-hexanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-oxidanylidene-hexanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-oxo-hexanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-5-oxohexanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-oxohexanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-keto-hexanoic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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