(E)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)but-3-en-2-one

Systemtic Name: (E)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)but-3-en-2-one Openeye Name: (E)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)but-3-en-2-one CAS Name: (E)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-buten-2-one IUPAC Name: (E)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)but-3-en-2-one Traditional Name: (E)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)but-3-en-2-one Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(=C2C(=C1OC)OCO2)OC

Isomeric SMILES

CC(=O)/C=C/C1=CC(=C2C(=C1OC)OCO2)OC

InChI

InChI=1S/C13H14O5/c1-8(14)4-5-9-6-10(15-2)12-13(11(9)16-3)18-7-17-12/h4-6H,7H2,1-3H3/b5-4+