(E)-1-(6-bromanyl-1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one

Systemtic Name: (E)-1-(6-bromanyl-1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one Openeye Name: (E)-1-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one CAS Name: (E)-1-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-1-penten-3-one IUPAC Name: (E)-1-(6-bromo-1,3-benzodioxol-5-yl)-4-methylpent-1-en-3-one Traditional Name: (E)-1-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one Formula: C13H13BrO3 MolecularWeight: 297.14452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=CC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CC(C)C(=O)/C=C/C1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C13H13BrO3/c1-8(2)11(15)4-3-9-5-12-13(6-10(9)14)17-7-16-12/h3-6,8H,7H2,1-2H3/b4-3+