4-methylbenzenesulfonic acid; 1-(3-methylthiolan-2-yl)butan-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(3-methylthiolan-2-yl)butan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-(3-methyltetrahydrothiophen-2-yl)butan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(3-methyl-2-thiolanyl)-2-butanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(3-methylthiolan-2-yl)butan-2-one Traditional Name: 1-(3-methyltetrahydrothiophen-2-yl)butan-2-one; tosylic acid Formula: C16H24O4S2 MolecularWeight: 344.48936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1C(CCS1)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(=O)CC1C(CCS1)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H16OS.C7H8O3S/c1-3-8(10)6-9-7(2)4-5-11-9;1-6-2-4-7(5-3-6)11(8,9)10/h7,9H,3-6H2,1-2H3;2-5H,1H3,(H,8,9,10)