[5-ethyl-2,2-bis(oxidanylidene)-5-(phenylmethyl)-1,2-oxathiol-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-ethyl-2,2-bis(oxidanylidene)-5-(phenylmethyl)-1,2-oxathiol-4-yl] 4-methylbenzenesulfonate Openeye Name: (5-benzyl-5-ethyl-2,2-dioxo-oxathiol-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-ethyl-2,2-dioxo-5-(phenylmethyl)-4-oxathiolyl] ester IUPAC Name: (5-benzyl-5-ethyl-2,2-dioxooxathiol-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-benzyl-5-ethyl-2,2-diketo-oxathiol-4-yl) ester Formula: C19H20O6S2 MolecularWeight: 408.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=CS(=O)(=O)O1)OS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1(C(=CS(=O)(=O)O1)OS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C19H20O6S2/c1-3-19(13-16-7-5-4-6-8-16)18(14-26(20,21)25-19)24-27(22,23)17-11-9-15(2)10-12-17/h4-12,14H,3,13H2,1-2H3