(2,4,6-trimethyl-1,3-dithian-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,4,6-trimethyl-1,3-dithian-5-yl) 4-methylbenzenesulfonate Openeye Name: (2,4,6-trimethyl-1,3-dithian-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,4,6-trimethyl-1,3-dithian-5-yl) ester IUPAC Name: (2,4,6-trimethyl-1,3-dithian-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,4,6-trimethyl-1,3-dithian-5-yl) ester Formula: C14H20O3S3 MolecularWeight: 332.5018

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC(S1)C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1C(C(SC(S1)C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H20O3S3/c1-9-5-7-13(8-6-9)20(15,16)17-14-10(2)18-12(4)19-11(14)3/h5-8,10-12,14H,1-4H3