2,3,5-tris(bromanyl)-6-(4-methylphenyl)sulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3,5-tris(bromanyl)-6-(4-methylphenyl)sulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3,5-tribromo-6-(p-tolylsulfanyl)-1,4-benzoquinone CAS Name: 2,3,5-tribromo-6-[(4-methylphenyl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3,5-tribromo-6-(4-methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3,5-tribromo-6-(p-tolylthio)-p-benzoquinone Formula: C13H7Br3O2S MolecularWeight: 466.97048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)C(=C(C2=O)Br)Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)C(=C(C2=O)Br)Br)Br

InChI

InChI=1S/C13H7Br3O2S/c1-6-2-4-7(5-3-6)19-13-10(16)11(17)8(14)9(15)12(13)18/h2-5H,1H3