ethyl 5-(2-bromanyl-4-methyl-phenoxy)-2-ethanoyl-pentanoate

Systemtic Name: ethyl 5-(2-bromanyl-4-methyl-phenoxy)-2-ethanoyl-pentanoate Openeye Name: ethyl 2-acetyl-5-(2-bromo-4-methyl-phenoxy)pentanoate CAS Name: 2-acetyl-5-(2-bromo-4-methylphenoxy)pentanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-(2-bromo-4-methylphenoxy)pentanoate Traditional Name: 2-acetyl-5-(2-bromo-4-methyl-phenoxy)valeric acid ethyl ester Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCOC1=C(C=C(C=C1)C)Br)C(=O)C

Isomeric SMILES

CCOC(=O)C(CCCOC1=C(C=C(C=C1)C)Br)C(=O)C

InChI

InChI=1S/C16H21BrO4/c1-4-20-16(19)13(12(3)18)6-5-9-21-15-8-7-11(2)10-14(15)17/h7-8,10,13H,4-6,9H2,1-3H3