(E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)prop-2-enal

Systemtic Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)prop-2-enal Openeye Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)prop-2-enal CAS Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)-2-propenal IUPAC Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)prop-2-enal Traditional Name: (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)acrolein Formula: C12H12O5 MolecularWeight: 236.22068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10-12(11(9)15-2)17-7-16-10/h3-6H,7H2,1-2H3/b4-3+