(3-bromanyl-4-chloranyl-phenyl)sulfonyl-bis(chloranyl)methanethiol; methylbenzene

Systemtic Name: (3-bromanyl-4-chloranyl-phenyl)sulfonyl-bis(chloranyl)methanethiol; methylbenzene Openeye Name: (3-bromo-4-chloro-phenyl)sulfonyl-dichloro-methanethiol; toluene CAS Name: (3-bromo-4-chlorophenyl)sulfonyl-dichloromethanethiol; toluene IUPAC Name: (3-bromo-4-chlorophenyl)sulfonyl-dichloromethanethiol; toluene Traditional Name: (3-bromo-4-chloro-phenyl)sulfonyl-dichloro-methanethiol; toluene Formula: C14H12BrCl3O2S2 MolecularWeight: 462.63688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC(=C(C=C1S(=O)(=O)C(S)(Cl)Cl)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1.C1=CC(=C(C=C1S(=O)(=O)C(S)(Cl)Cl)Br)Cl

InChI

InChI=1S/C7H4BrCl3O2S2.C7H8/c8-5-3-4(1-2-6(5)9)15(12,13)7(10,11)14;1-7-5-3-2-4-6-7/h1-3,14H;2-6H,1H3