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

Systemtic Name: 1-(1,4-dithian-1-ium-1-yl)pentan-2-one; 4-methylbenzenesulfonate Openeye Name: 1-(1,4-dithian-1-ium-1-yl)pentan-2-one; 4-methylbenzenesulfonate CAS Name: 1-(1,4-dithian-1-ium-1-yl)-2-pentanone; 4-methylbenzenesulfonate IUPAC Name: 1-(1,4-dithian-1-ium-1-yl)pentan-2-one; 4-methylbenzenesulfonate Traditional Name: 1-(1,4-dithian-1-ium-1-yl)pentan-2-one tosylate Formula: C16H24O4S3 MolecularWeight: 376.55436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17OS2.C7H8O3S/c1-2-3-9(10)8-12-6-4-11-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1