methyl 5-(2-bromanyl-4-methyl-phenoxy)-2-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(2-bromanyl-4-methyl-phenoxy)-2-oxidanylidene-pentanoate Openeye Name: methyl 5-(2-bromo-4-methyl-phenoxy)-2-oxo-pentanoate CAS Name: 5-(2-bromo-4-methylphenoxy)-2-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(2-bromo-4-methylphenoxy)-2-oxopentanoate Traditional Name: 5-(2-bromo-4-methyl-phenoxy)-2-keto-valeric acid methyl ester Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)C(=O)OC)Br

InChI

InChI=1S/C13H15BrO4/c1-9-5-6-12(10(14)8-9)18-7-3-4-11(15)13(16)17-2/h5-6,8H,3-4,7H2,1-2H3