methyl 5-(3-bromanyl-4-methoxy-phenyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(3-bromanyl-4-methoxy-phenyl)-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(3-bromo-4-methoxy-phenyl)-5-oxo-pentanoate CAS Name: 5-(3-bromo-4-methoxyphenyl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(3-bromo-4-methoxyphenyl)-5-oxopentanoate Traditional Name: 5-(3-bromo-4-methoxy-phenyl)-5-keto-valeric acid methyl ester Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCCC(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCCC(=O)OC)Br

InChI

InChI=1S/C13H15BrO4/c1-17-12-7-6-9(8-10(12)14)11(15)4-3-5-13(16)18-2/h6-8H,3-5H2,1-2H3