methyl (E)-6-(2-bromophenyl)-2-oxidanyl-4-oxidanylidene-hex-2-enoate

Systemtic Name: methyl (E)-6-(2-bromophenyl)-2-oxidanyl-4-oxidanylidene-hex-2-enoate Openeye Name: methyl (E)-6-(2-bromophenyl)-2-hydroxy-4-oxo-hex-2-enoate CAS Name: (E)-6-(2-bromophenyl)-2-hydroxy-4-oxo-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(2-bromophenyl)-2-hydroxy-4-oxohex-2-enoate Traditional Name: (E)-6-(2-bromophenyl)-2-hydroxy-4-keto-hex-2-enoic acid methyl ester Formula: C13H13BrO4 MolecularWeight: 313.14392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=O)CCC1=CC=CC=C1Br)O

Isomeric SMILES

COC(=O)/C(=C\C(=O)CCC1=CC=CC=C1Br)/O

InChI

InChI=1S/C13H13BrO4/c1-18-13(17)12(16)8-10(15)7-6-9-4-2-3-5-11(9)14/h2-5,8,16H,6-7H2,1H3/b12-8+