4-methylbenzenesulfonic acid; 1-(thian-2-yl)octan-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(thian-2-yl)octan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-tetrahydrothiopyran-2-yloctan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(2-thianyl)-2-octanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(thian-2-yl)octan-2-one Traditional Name: 1-tetrahydrothiopyran-2-yloctan-2-one; tosylic acid Formula: C20H32O4S2 MolecularWeight: 400.59568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC1CCCCS1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(=O)CC1CCCCS1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H24OS.C7H8O3S/c1-2-3-4-5-8-12(14)11-13-9-6-7-10-15-13;1-6-2-4-7(5-3-6)11(8,9)10/h13H,2-11H2,1H3;2-5H,1H3,(H,8,9,10)