(E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-(1,3-benzodioxol-5-yl)-2-oxo-but-3-enoic acid CAS Name: (E)-4-(1,3-benzodioxol-5-yl)-2-oxo-3-butenoic acid IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enoic acid Traditional Name: (E)-4-(1,3-benzodioxol-5-yl)-2-keto-but-3-enoic acid Formula: C11H8O5 MolecularWeight: 220.17822

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C(=O)O

InChI

InChI=1S/C11H8O5/c12-8(11(13)14)3-1-7-2-4-9-10(5-7)16-6-15-9/h1-5H,6H2,(H,13,14)/b3-1+