7-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrothiepine

Systemtic Name: 7-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrothiepine Openeye Name: 7-(p-tolylsulfonyl)-2,3,4,5-tetrahydrothiepine CAS Name: 7-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrothiepin IUPAC Name: 7-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrothiepine Traditional Name: 7-tosyl-2,3,4,5-tetrahydrothiepin Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CCCCCS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CCCCCS2

InChI

InChI=1S/C13H16O2S2/c1-11-6-8-12(9-7-11)17(14,15)13-5-3-2-4-10-16-13/h5-9H,2-4,10H2,1H3