2-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]propanedioic acid

Systemtic Name: 2-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]propanedioic acid Openeye Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]propanedioic acid CAS Name: 2-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]propanedioic acid IUPAC Name: 2-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]propanedioic acid Traditional Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]malonic acid Formula: C14H12O6 MolecularWeight: 276.24148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)C(=O)O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C14H12O6/c1-8(12(13(15)16)14(17)18)2-3-9-4-5-10-11(6-9)20-7-19-10/h2-6H,7H2,1H3,(H,15,16)(H,17,18)/b3-2+