1,3-benzodioxole-5-carbaldehyde; 3-[4-(3-ethoxy-3-oxidanylidene-propanoyl)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 1,3-benzodioxole-5-carbaldehyde; 3-[4-(3-ethoxy-3-oxidanylidene-propanoyl)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 1,3-benzodioxole-5-carbaldehyde; 3-[4-(3-ethoxy-3-oxo-propanoyl)phenyl]-3-oxo-propanoic acid CAS Name: 1,3-benzodioxole-5-carboxaldehyde; 3-[4-(3-ethoxy-1,3-dioxopropyl)phenyl]-3-oxopropanoic acid IUPAC Name: 1,3-benzodioxole-5-carbaldehyde; 3-[4-(3-ethoxy-3-oxopropanoyl)phenyl]-3-oxopropanoic acid Traditional Name: 3-[4-(3-ethoxy-3-keto-propanoyl)phenyl]-3-keto-propionic acid; piperonal Formula: C22H20O9 MolecularWeight: 428.3888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC=C(C=C1)C(=O)CC(=O)O.C1OC2=C(O1)C=C(C=C2)C=O

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC=C(C=C1)C(=O)CC(=O)O.C1OC2=C(O1)C=C(C=C2)C=O

InChI

InChI=1S/C14H14O6.C8H6O3/c1-2-20-14(19)8-12(16)10-5-3-9(4-6-10)11(15)7-13(17)18;9-4-6-1-2-7-8(3-6)11-5-10-7/h3-6H,2,7-8H2,1H3,(H,17,18);1-4H,5H2