(2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanoic acid

Systemtic Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanoic acid Openeye Name: (2E)-2-(1,3-benzodioxol-5-ylmethylene)butanoic acid CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanoic acid IUPAC Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)butanoic acid Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-ethyl-acrylic acid Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O4/c1-2-9(12(13)14)5-8-3-4-10-11(6-8)16-7-15-10/h3-6H,2,7H2,1H3,(H,13,14)/b9-5+