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

Systemtic Name: 1-(1,4-dithian-1-ium-1-yl)propan-2-one; 4-methylbenzenesulfonate Openeye Name: 1-(1,4-dithian-1-ium-1-yl)propan-2-one; 4-methylbenzenesulfonate CAS Name: 1-(1,4-dithian-1-ium-1-yl)-2-propanone; 4-methylbenzenesulfonate IUPAC Name: 1-(1,4-dithian-1-ium-1-yl)propan-2-one; 4-methylbenzenesulfonate Traditional Name: 1-(1,4-dithian-1-ium-1-yl)acetone tosylate Formula: C14H20O4S3 MolecularWeight: 348.5012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C[S+]1CCSCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C[S+]1CCSCC1

InChI

InChI=1S/C7H8O3S.C7H13OS2/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