methylbenzene; methyl 2,2-bis(chloranyl)-2-sulfanyl-ethanoate

Systemtic Name: methylbenzene; methyl 2,2-bis(chloranyl)-2-sulfanyl-ethanoate Openeye Name: methyl 2,2-dichloro-2-sulfanyl-acetate; toluene CAS Name: 2,2-dichloro-2-mercaptoacetic acid methyl ester; toluene IUPAC Name: methyl 2,2-dichloro-2-sulfanylacetate; toluene Traditional Name: 2,2-dichloro-2-mercapto-acetic acid methyl ester; toluene Formula: C10H12Cl2O2S MolecularWeight: 267.17208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.COC(=O)C(S)(Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1.COC(=O)C(S)(Cl)Cl

InChI

InChI=1S/C7H8.C3H4Cl2O2S/c1-7-5-3-2-4-6-7;1-7-2(6)3(4,5)8/h2-6H,1H3;8H,1H3