2-[3-chloranyl-4-(2-methyl-1-sulfanyl-propyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-(2-methyl-1-sulfanyl-propyl)phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-(2-methyl-1-sulfanyl-propyl)phenyl]acetic acid CAS Name: 2-[3-chloro-4-(1-mercapto-2-methylpropyl)phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-(2-methyl-1-sulfanylpropyl)phenyl]acetic acid Traditional Name: 2-[3-chloro-4-(1-mercapto-2-methyl-propyl)phenyl]acetic acid Formula: C12H15ClO2S MolecularWeight: 258.7643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO2S/c1-7(2)12(16)9-4-3-8(5-10(9)13)6-11(14)15/h3-5,7,12,16H,6H2,1-2H3,(H,14,15)