2-(4-bromanyl-3-methyl-phenyl)sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-(4-bromanyl-3-methyl-phenyl)sulfanyl-2-methyl-propanoic acid Openeye Name: 2-(4-bromo-3-methyl-phenyl)sulfanyl-2-methyl-propanoic acid CAS Name: 2-[(4-bromo-3-methylphenyl)thio]-2-methylpropanoic acid IUPAC Name: 2-(4-bromo-3-methylphenyl)sulfanyl-2-methylpropanoic acid Traditional Name: 2-[(4-bromo-3-methyl-phenyl)thio]-2-methyl-propionic acid Formula: C11H13BrO2S MolecularWeight: 289.18872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC(C)(C)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)SC(C)(C)C(=O)O)Br

InChI

InChI=1S/C11H13BrO2S/c1-7-6-8(4-5-9(7)12)15-11(2,3)10(13)14/h4-6H,1-3H3,(H,13,14)