3-(2-chloranyl-4-ethanoyl-5-methyl-phenyl)sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(2-chloranyl-4-ethanoyl-5-methyl-phenyl)sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-(4-acetyl-2-chloro-5-methyl-phenyl)sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[(4-acetyl-2-chloro-5-methylphenyl)thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-(4-acetyl-2-chloro-5-methylphenyl)sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[(4-acetyl-2-chloro-5-methyl-phenyl)thio]-2,2-dimethyl-propionic acid Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C)Cl)SCC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C)Cl)SCC(C)(C)C(=O)O

InChI

InChI=1S/C14H17ClO3S/c1-8-5-12(11(15)6-10(8)9(2)16)19-7-14(3,4)13(17)18/h5-6H,7H2,1-4H3,(H,17,18)