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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)octan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-tetrahydrothiophen-2-yloctan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(2-thiolanyl)-2-octanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)octan-2-one Traditional Name: 1-tetrahydrothiophen-2-yloctan-2-one; tosylic acid Formula: C19H30O4S2 MolecularWeight: 386.5691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22OS.C7H8O3S/c1-2-3-4-5-7-11(13)10-12-8-6-9-14-12;1-6-2-4-7(5-3-6)11(8,9)10/h12H,2-10H2,1H3;2-5H,1H3,(H,8,9,10)