(2S)-2-(3,4-dichlorophenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(3,4-dichlorophenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: (2S)-2-(3,4-dichlorophenyl)sulfanyl-3-methyl-butanoic acid CAS Name: (2S)-2-[(3,4-dichlorophenyl)thio]-3-methylbutanoic acid IUPAC Name: (2S)-2-(3,4-dichlorophenyl)sulfanyl-3-methylbutanoic acid Traditional Name: (2S)-2-[(3,4-dichlorophenyl)thio]-3-methyl-butyric acid Formula: C11H12Cl2O2S MolecularWeight: 279.18278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)O)SC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H12Cl2O2S/c1-6(2)10(11(14)15)16-7-3-4-8(12)9(13)5-7/h3-6,10H,1-2H3,(H,14,15)/t10-/m0/s1