2,2-bis(chloranyl)-1-(4-methylphenyl)-2-sulfanyl-ethanone; methylbenzene

Systemtic Name: 2,2-bis(chloranyl)-1-(4-methylphenyl)-2-sulfanyl-ethanone; methylbenzene Openeye Name: 2,2-dichloro-1-(p-tolyl)-2-sulfanyl-ethanone; toluene CAS Name: 2,2-dichloro-2-mercapto-1-(4-methylphenyl)ethanone; toluene IUPAC Name: 2,2-dichloro-1-(4-methylphenyl)-2-sulfanylethanone; toluene Traditional Name: 2,2-dichloro-2-mercapto-1-(p-tolyl)ethanone; toluene Formula: C16H16Cl2OS MolecularWeight: 327.26864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8Cl2OS.C7H8/c1-6-2-4-7(5-3-6)8(12)9(10,11)13;1-7-5-3-2-4-6-7/h2-5,13H,1H3;2-6H,1H3