2-[2,5-bis(chloranyl)-3-methyl-phenyl]sulfanylethanoate

Systemtic Name: 2-[2,5-bis(chloranyl)-3-methyl-phenyl]sulfanylethanoate Openeye Name: 2-(2,5-dichloro-3-methyl-phenyl)sulfanylacetate CAS Name: 2-[(2,5-dichloro-3-methylphenyl)thio]acetate IUPAC Name: 2-(2,5-dichloro-3-methylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dichloro-3-methyl-phenyl)thio]acetate Formula: C9H7Cl2O2S- MolecularWeight: 250.12168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)SCC(=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)SCC(=O)[O-])Cl

InChI

InChI=1S/C9H8Cl2O2S/c1-5-2-6(10)3-7(9(5)11)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)/p-1