(2E)-2-[(7-methoxy-1,3-benzodioxol-4-yl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-4-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-4-yl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-4-yl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(7-methoxy-1,3-benzodioxol-4-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(7-methoxy-1,3-benzodioxol-4-yl)acrylic acid Formula: C13H12O6 MolecularWeight: 264.23078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C2C(=C(C=C1)OC)OCO2)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=C2C(=C(C=C1)OC)OCO2)/C(=O)O

InChI

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