2,5-bis(bromanyl)-3,6-bis[(4-methylphenyl)carbonylsulfonyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(bromanyl)-3,6-bis[(4-methylphenyl)carbonylsulfonyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-dibromo-3,6-bis[(4-methylbenzoyl)sulfonyl]-1,4-benzoquinone CAS Name: 2,5-dibromo-3,6-bis[[(4-methylphenyl)-oxomethyl]sulfonyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-dibromo-3,6-bis[(4-methylbenzoyl)sulfonyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-dibromo-3,6-bis(p-toluoylsulfonyl)-p-benzoquinone Formula: C22H14Br2O8S2 MolecularWeight: 630.27976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)S(=O)(=O)C2=C(C(=O)C(=C(C2=O)Br)S(=O)(=O)C(=O)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)S(=O)(=O)C2=C(C(=O)C(=C(C2=O)Br)S(=O)(=O)C(=O)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C22H14Br2O8S2/c1-11-3-7-13(8-4-11)21(27)33(29,30)19-15(23)18(26)20(16(24)17(19)25)34(31,32)22(28)14-9-5-12(2)6-10-14/h3-10H,1-2H3