methyl (3S)-6-bromanyl-3-(2-methoxy-5-methyl-phenyl)-3-methyl-hexanoate

Systemtic Name: methyl (3S)-6-bromanyl-3-(2-methoxy-5-methyl-phenyl)-3-methyl-hexanoate Openeye Name: methyl (3S)-6-bromo-3-(2-methoxy-5-methyl-phenyl)-3-methyl-hexanoate CAS Name: (3S)-6-bromo-3-(2-methoxy-5-methylphenyl)-3-methylhexanoic acid methyl ester IUPAC Name: methyl (3S)-6-bromo-3-(2-methoxy-5-methylphenyl)-3-methylhexanoate Traditional Name: (3S)-6-bromo-3-(2-methoxy-5-methyl-phenyl)-3-methyl-hexanoic acid methyl ester Formula: C16H23BrO3 MolecularWeight: 343.25602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@@](C)(CCCBr)CC(=O)OC

InChI

InChI=1S/C16H23BrO3/c1-12-6-7-14(19-3)13(10-12)16(2,8-5-9-17)11-15(18)20-4/h6-7,10H,5,8-9,11H2,1-4H3/t16-/m0/s1