(E)-6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-hex-5-enoic acid

Systemtic Name: (E)-6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-hex-5-enoic acid Openeye Name: (E)-6-(1,3-benzodioxol-5-yl)-4-oxo-hex-5-enoic acid CAS Name: (E)-6-(1,3-benzodioxol-5-yl)-4-oxo-5-hexenoic acid IUPAC Name: (E)-6-(1,3-benzodioxol-5-yl)-4-oxohex-5-enoic acid Traditional Name: (E)-6-(1,3-benzodioxol-5-yl)-4-keto-hex-5-enoic acid Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)CCC(=O)O

InChI

InChI=1S/C13H12O5/c14-10(4-6-13(15)16)3-1-9-2-5-11-12(7-9)18-8-17-11/h1-3,5,7H,4,6,8H2,(H,15,16)/b3-1+