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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(thian-2-yl)propan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-tetrahydrothiopyran-2-ylpropan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(2-thianyl)-2-propanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(thian-2-yl)propan-2-one Traditional Name: 1-tetrahydrothiopyran-2-ylacetone; tosylic acid Formula: C15H22O4S2 MolecularWeight: 330.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14OS.C7H8O3S/c1-7(9)6-8-4-2-3-5-10-8;1-6-2-4-7(5-3-6)11(8,9)10/h8H,2-6H2,1H3;2-5H,1H3,(H,8,9,10)