1,3-dimethyl-5-(methylsulfonylmethyl)benzene

Systemtic Name: 1,3-dimethyl-5-(methylsulfonylmethyl)benzene Openeye Name: 1,3-dimethyl-5-(methylsulfonylmethyl)benzene CAS Name: 1,3-dimethyl-5-(methylsulfonylmethyl)benzene IUPAC Name: 1,3-dimethyl-5-(methylsulfonylmethyl)benzene Traditional Name: 1-(mesylmethyl)-3,5-dimethyl-benzene Formula: C10H14O2S MolecularWeight: 198.28196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)C)C

InChI

InChI=1S/C10H14O2S/c1-8-4-9(2)6-10(5-8)7-13(3,11)12/h4-6H,7H2,1-3H3