(1-oxidanylidenethian-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-oxidanylidenethian-4-yl) 4-methylbenzenesulfonate Openeye Name: (1-oxothian-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-oxo-4-thianyl) ester IUPAC Name: (1-oxothian-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-ketothian-4-yl) ester Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCS(=O)CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCS(=O)CC2

InChI

InChI=1S/C12H16O4S2/c1-10-2-4-12(5-3-10)18(14,15)16-11-6-8-17(13)9-7-11/h2-5,11H,6-9H2,1H3