2-[(4-methylphenyl)sulfonylmethyl]-1,3-dithiane

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-1,3-dithiane Openeye Name: 2-(p-tolylsulfonylmethyl)-1,3-dithiane CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-1,3-dithiane IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-1,3-dithiane Traditional Name: 2-(tosylmethyl)-1,3-dithiane Formula: C12H16O2S3 MolecularWeight: 288.44924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2SCCCS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2SCCCS2

InChI

InChI=1S/C12H16O2S3/c1-10-3-5-11(6-4-10)17(13,14)9-12-15-7-2-8-16-12/h3-6,12H,2,7-9H2,1H3