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

Systemtic Name: [4-bromanyl-3,5-bis(chloranyl)phenyl]sulfonylmethanethiol; methylbenzene Openeye Name: (4-bromo-3,5-dichloro-phenyl)sulfonylmethanethiol; toluene CAS Name: (4-bromo-3,5-dichlorophenyl)sulfonylmethanethiol; toluene IUPAC Name: (4-bromo-3,5-dichlorophenyl)sulfonylmethanethiol; toluene Traditional Name: (4-bromo-3,5-dichloro-phenyl)sulfonylmethanethiol; toluene Formula: C14H13BrCl2O2S2 MolecularWeight: 428.19182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5BrCl2O2S2.C7H8/c8-7-5(9)1-4(2-6(7)10)14(11,12)3-13;1-7-5-3-2-4-6-7/h1-2,13H,3H2;2-6H,1H3