1-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfonyl-methyl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfonyl-methyl]sulfonyl-benzene Openeye Name: 1-methyl-4-[methylsulfonyl(p-tolylsulfonyl)methyl]sulfonyl-benzene CAS Name: 1-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfonylmethyl]sulfonylbenzene IUPAC Name: 1-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfonylmethyl]sulfonylbenzene Traditional Name: 1-[mesyl(tosyl)methyl]sulfonyl-4-methyl-benzene Formula: C16H18O6S3 MolecularWeight: 402.50552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O6S3/c1-12-4-8-14(9-5-12)24(19,20)16(23(3,17)18)25(21,22)15-10-6-13(2)7-11-15/h4-11,16H,1-3H3