2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanylacetic acid CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanylacetic acid Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid Formula: C9H9BrO2S MolecularWeight: 261.13556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9BrO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)