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

Systemtic Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)butan-2-one Openeye Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)butan-2-one CAS Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)-2-butanone IUPAC Name: 4-methylbenzenesulfonate; 1-(1,4-oxathian-4-ium-4-yl)butan-2-one Traditional Name: 1-(1,4-oxathian-4-ium-4-yl)butan-2-one tosylate Formula: C15H22O5S2 MolecularWeight: 346.46218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15O2S.C7H8O3S/c1-2-8(9)7-11-5-3-10-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1