2-[(E)-3-(1,3-benzodioxol-5-yl)but-2-enylidene]propanedioic acid

Systemtic Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)but-2-enylidene]propanedioic acid Openeye Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)but-2-enylidene]propanedioic acid CAS Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)but-2-enylidene]propanedioic acid IUPAC Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)but-2-enylidene]propanedioic acid Traditional Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)but-2-enylidene]malonic acid Formula: C14H12O6 MolecularWeight: 276.24148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(C(=O)O)C(=O)O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

C/C(=C\C=C(C(=O)O)C(=O)O)/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H12O6/c1-8(2-4-10(13(15)16)14(17)18)9-3-5-11-12(6-9)20-7-19-11/h2-6H,7H2,1H3,(H,15,16)(H,17,18)/b8-2+