(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-oxolan-2-one

Systemtic Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-oxolan-2-one Openeye Name: (3E)-3-(1,3-benzodioxol-5-ylmethylene)-5-methyl-tetrahydrofuran-2-one CAS Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-oxolanone IUPAC Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-methyloxolan-2-one Traditional Name: (3E)-5-methyl-3-piperonylidene-tetrahydrofuran-2-one Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)O1

Isomeric SMILES

CC1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)O1

InChI

InChI=1S/C13H12O4/c1-8-4-10(13(14)17-8)5-9-2-3-11-12(6-9)16-7-15-11/h2-3,5-6,8H,4,7H2,1H3/b10-5+