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

Systemtic Name: 1-(1,4-dithian-1-ium-1-yl)octan-2-one; 4-methylbenzenesulfonate Openeye Name: 1-(1,4-dithian-1-ium-1-yl)octan-2-one; 4-methylbenzenesulfonate CAS Name: 1-(1,4-dithian-1-ium-1-yl)-2-octanone; 4-methylbenzenesulfonate IUPAC Name: 1-(1,4-dithian-1-ium-1-yl)octan-2-one; 4-methylbenzenesulfonate Traditional Name: 1-(1,4-dithian-1-ium-1-yl)octan-2-one tosylate Formula: C19H30O4S3 MolecularWeight: 418.6341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23OS2.C7H8O3S/c1-2-3-4-5-6-12(13)11-15-9-7-14-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1