1-(3,3-dimethyl-1,4-dithian-1-ium-1-yl)butan-2-one; 4-methylbenzenesulfonate

Systemtic Name: 1-(3,3-dimethyl-1,4-dithian-1-ium-1-yl)butan-2-one; 4-methylbenzenesulfonate Openeye Name: 1-(3,3-dimethyl-1,4-dithian-1-ium-1-yl)butan-2-one; 4-methylbenzenesulfonate CAS Name: 1-(3,3-dimethyl-1,4-dithian-1-ium-1-yl)-2-butanone; 4-methylbenzenesulfonate IUPAC Name: 1-(3,3-dimethyl-1,4-dithian-1-ium-1-yl)butan-2-one; 4-methylbenzenesulfonate Traditional Name: 1-(3,3-dimethyl-1,4-dithian-1-ium-1-yl)butan-2-one tosylate Formula: C17H26O4S3 MolecularWeight: 390.58094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19OS2.C7H8O3S/c1-4-9(11)7-13-6-5-12-10(2,3)8-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1