thian-4-yl 4-methylbenzenesulfonate

Systemtic Name: thian-4-yl 4-methylbenzenesulfonate Openeye Name: tetrahydrothiopyran-4-yl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-thianyl ester IUPAC Name: thian-4-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid tetrahydrothiopyran-4-yl ester Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCSCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCSCC2

InChI

InChI=1S/C12H16O3S2/c1-10-2-4-12(5-3-10)17(13,14)15-11-6-8-16-9-7-11/h2-5,11H,6-9H2,1H3