methyl 6-bromanyl-3-methyl-3-(4-methylphenyl)hexanoate

Systemtic Name: methyl 6-bromanyl-3-methyl-3-(4-methylphenyl)hexanoate Openeye Name: methyl 6-bromo-3-methyl-3-(p-tolyl)hexanoate CAS Name: 6-bromo-3-methyl-3-(4-methylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-bromo-3-methyl-3-(4-methylphenyl)hexanoate Traditional Name: 6-bromo-3-methyl-3-(p-tolyl)hexanoic acid methyl ester Formula: C15H21BrO2 MolecularWeight: 313.23004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(CCCBr)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(CCCBr)CC(=O)OC

InChI

InChI=1S/C15H21BrO2/c1-12-5-7-13(8-6-12)15(2,9-4-10-16)11-14(17)18-3/h5-8H,4,9-11H2,1-3H3