(E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)acrylic acid Formula: C12H12O6 MolecularWeight: 252.22008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1C=CC(=O)O)OCO2)OC

Isomeric SMILES

COC1=C(C2=C(C=C1/C=C/C(=O)O)OCO2)OC

InChI

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