(E)-1-(1,3-benzodioxol-5-yl)-4-methyl-4-oxidanyl-pent-1-en-3-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-4-oxidanyl-pent-1-en-3-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-pent-1-en-3-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-1-penten-3-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methylpent-1-en-3-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-pent-1-en-3-one Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-13(2,15)12(14)6-4-9-3-5-10-11(7-9)17-8-16-10/h3-7,15H,8H2,1-2H3/b6-4+