2-(3-chloranyl-4-sulfanyl-phenyl)-3-methyl-butanoic acid

Systemtic Name: 2-(3-chloranyl-4-sulfanyl-phenyl)-3-methyl-butanoic acid Openeye Name: 2-(3-chloro-4-sulfanyl-phenyl)-3-methyl-butanoic acid CAS Name: 2-(3-chloro-4-mercaptophenyl)-3-methylbutanoic acid IUPAC Name: 2-(3-chloro-4-sulfanylphenyl)-3-methylbutanoic acid Traditional Name: 2-(3-chloro-4-mercapto-phenyl)-3-methyl-butyric acid Formula: C11H13ClO2S MolecularWeight: 244.73772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClO2S/c1-6(2)10(11(13)14)7-3-4-9(15)8(12)5-7/h3-6,10,15H,1-2H3,(H,13,14)