methyl (E)-3-bromanyl-5-methyl-4-oxidanylidene-hex-2-enoate

Systemtic Name: methyl (E)-3-bromanyl-5-methyl-4-oxidanylidene-hex-2-enoate Openeye Name: methyl (E)-3-bromo-5-methyl-4-oxo-hex-2-enoate CAS Name: (E)-3-bromo-5-methyl-4-oxo-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-3-bromo-5-methyl-4-oxohex-2-enoate Traditional Name: (E)-3-bromo-4-keto-5-methyl-hex-2-enoic acid methyl ester Formula: C8H11BrO3 MolecularWeight: 235.07514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=CC(=O)OC)Br

Isomeric SMILES

CC(C)C(=O)/C(=C\C(=O)OC)/Br

InChI

InChI=1S/C8H11BrO3/c1-5(2)8(11)6(9)4-7(10)12-3/h4-5H,1-3H3/b6-4+