1-cyclopentyl-2-(thian-2-yl)ethanone; 4-methylbenzenesulfonic acid

Systemtic Name: 1-cyclopentyl-2-(thian-2-yl)ethanone; 4-methylbenzenesulfonic acid Openeye Name: 1-cyclopentyl-2-tetrahydrothiopyran-2-yl-ethanone; 4-methylbenzenesulfonic acid CAS Name: 1-cyclopentyl-2-(2-thianyl)ethanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-cyclopentyl-2-(thian-2-yl)ethanone; 4-methylbenzenesulfonic acid Traditional Name: 1-cyclopentyl-2-tetrahydrothiopyran-2-yl-ethanone; tosylic acid Formula: C19H28O4S2 MolecularWeight: 384.55322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)C(=O)CC2CCCCS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)C(=O)CC2CCCCS2

InChI

InChI=1S/C12H20OS.C7H8O3S/c13-12(10-5-1-2-6-10)9-11-7-3-4-8-14-11;1-6-2-4-7(5-3-6)11(8,9)10/h10-11H,1-9H2;2-5H,1H3,(H,8,9,10)