(3S)-3-bromanyl-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-bromanyl-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-3-bromo-4-oxo-4-(p-tolyl)butanoate CAS Name: (3S)-3-bromo-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (3S)-3-bromo-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (3S)-3-bromo-4-keto-4-(p-tolyl)butyrate Formula: C11H10BrO3- MolecularWeight: 270.0993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](CC(=O)[O-])Br

InChI

InChI=1S/C11H11BrO3/c1-7-2-4-8(5-3-7)11(15)9(12)6-10(13)14/h2-5,9H,6H2,1H3,(H,13,14)/p-1/t9-/m0/s1