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

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-5-methyl-5-oxidanyl-hex-1-en-3-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-hex-1-en-3-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-hex-1-en-3-one Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4/c1-14(2,16)8-11(15)5-3-10-4-6-12-13(7-10)18-9-17-12/h3-7,16H,8-9H2,1-2H3/b5-3+