(E)-4-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]but-3-en-2-one

Systemtic Name: (E)-4-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]but-3-en-2-one Openeye Name: (E)-4-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]but-3-en-2-one CAS Name: (E)-4-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-3-buten-2-one IUPAC Name: (E)-4-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]but-3-en-2-one Traditional Name: (E)-4-(6-methylol-1,3-benzodioxol-5-yl)but-3-en-2-one Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC2=C(C=C1CO)OCO2

Isomeric SMILES

CC(=O)/C=C/C1=CC2=C(C=C1CO)OCO2

InChI

InChI=1S/C12H12O4/c1-8(14)2-3-9-4-11-12(16-7-15-11)5-10(9)6-13/h2-5,13H,6-7H2,1H3/b3-2+