4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)propan-2-one

Systemtic Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)propan-2-one Openeye Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)propan-2-one CAS Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)-2-propanone IUPAC Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)propan-2-one Traditional Name: 1-(1,4-oxathian-4-ium-4-yl)acetone tosylate Formula: C14H20O5S2 MolecularWeight: 332.4356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C[S+]1CCOCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C[S+]1CCOCC1

InChI

InChI=1S/C7H8O3S.C7H13O2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-7(8)6-10-4-2-9-3-5-10/h2-5H,1H3,(H,8,9,10);2-6H2,1H3/q;+1/p-1