2-(2-bromanyl-5-methyl-phenyl)sulfanylethanoate

Systemtic Name: 2-(2-bromanyl-5-methyl-phenyl)sulfanylethanoate Openeye Name: 2-(2-bromo-5-methyl-phenyl)sulfanylacetate CAS Name: 2-[(2-bromo-5-methylphenyl)thio]acetate IUPAC Name: 2-(2-bromo-5-methylphenyl)sulfanylacetate Traditional Name: 2-[(2-bromo-5-methyl-phenyl)thio]acetate Formula: C9H8BrO2S- MolecularWeight: 260.12762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)Br)SCC(=O)[O-]

InChI

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