(3S)-3-(4-bromophenyl)-2-oxidanylidene-3-sulfanyl-propanoate

Systemtic Name: (3S)-3-(4-bromophenyl)-2-oxidanylidene-3-sulfanyl-propanoate Openeye Name: (3S)-3-(4-bromophenyl)-2-oxo-3-sulfanyl-propanoate CAS Name: (3S)-3-(4-bromophenyl)-3-mercapto-2-oxopropanoate IUPAC Name: (3S)-3-(4-bromophenyl)-2-oxo-3-sulfanylpropanoate Traditional Name: (3S)-3-(4-bromophenyl)-2-keto-3-mercapto-propionate Formula: C9H6BrO3S- MolecularWeight: 274.11114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)C(=O)[O-])S)Br

Isomeric SMILES

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

InChI

InChI=1S/C9H7BrO3S/c10-6-3-1-5(2-4-6)8(14)7(11)9(12)13/h1-4,8,14H,(H,12,13)/p-1/t8-/m0/s1