(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)acrylic acid Formula: C12H12O6 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)C=CC(=O)O)OC)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)/C=C/C(=O)O)OC)OCO2

InChI

InChI=1S/C12H12O6/c1-15-8-5-7(3-4-9(13)14)10(16-2)12-11(8)17-6-18-12/h3-5H,6H2,1-2H3,(H,13,14)/b4-3+