4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)pentan-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)pentan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-tetrahydrothiophen-2-ylpentan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(2-thiolanyl)-2-pentanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)pentan-2-one Traditional Name: 1-tetrahydrothiophen-2-ylpentan-2-one; tosylic acid Formula: C16H24O4S2 MolecularWeight: 344.48936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC1CCCS1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(=O)CC1CCCS1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H16OS.C7H8O3S/c1-2-4-8(10)7-9-5-3-6-11-9;1-6-2-4-7(5-3-6)11(8,9)10/h9H,2-7H2,1H3;2-5H,1H3,(H,8,9,10)