methylbenzene; [3,4,5-tris(chloranyl)phenyl]sulfonylmethanethiol

Systemtic Name: methylbenzene; [3,4,5-tris(chloranyl)phenyl]sulfonylmethanethiol Openeye Name: toluene; (3,4,5-trichlorophenyl)sulfonylmethanethiol CAS Name: toluene; (3,4,5-trichlorophenyl)sulfonylmethanethiol IUPAC Name: toluene; (3,4,5-trichlorophenyl)sulfonylmethanethiol Traditional Name: toluene; (3,4,5-trichlorophenyl)sulfonylmethanethiol Formula: C14H13Cl3O2S2 MolecularWeight: 383.74082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=C(C=C(C(=C1Cl)Cl)Cl)S(=O)(=O)CS

Isomeric SMILES

CC1=CC=CC=C1.C1=C(C=C(C(=C1Cl)Cl)Cl)S(=O)(=O)CS

InChI

InChI=1S/C7H5Cl3O2S2.C7H8/c8-5-1-4(14(11,12)3-13)2-6(9)7(5)10;1-7-5-3-2-4-6-7/h1-2,13H,3H2;2-6H,1H3