3-[2-(chloromethyl)-4-ethanoyl-phenyl]sulfanyl-2,2-dimethyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCC(C)(C)C(=O)O)CCl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCC(C)(C)C(=O)O)CCl

InChI

InChI=1S/C14H17ClO3S/c1-9(16)10-4-5-12(11(6-10)7-15)19-8-14(2,3)13(17)18/h4-6H,7-8H2,1-3H3,(H,17,18)