(2E)-2-[(4-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(4-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(4-methoxy-1,3-benzodioxol-5-yl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(4-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(4-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(4-methoxy-1,3-benzodioxol-5-yl)acrylic acid Formula: C13H12O6 MolecularWeight: 264.23078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C(C2=C(C=C1)OCO2)OC)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=C(C2=C(C=C1)OCO2)OC)/C(=O)O

InChI

InChI=1S/C13H12O6/c1-7(14)9(13(15)16)5-8-3-4-10-12(11(8)17-2)19-6-18-10/h3-5H,6H2,1-2H3,(H,15,16)/b9-5+