4-methylbenzenesulfonic acid; 3-methyl-1-(thian-2-yl)butan-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 3-methyl-1-(thian-2-yl)butan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 3-methyl-1-tetrahydrothiopyran-2-yl-butan-2-one CAS Name: 4-methylbenzenesulfonic acid; 3-methyl-1-(2-thianyl)-2-butanone IUPAC Name: 4-methylbenzenesulfonic acid; 3-methyl-1-(thian-2-yl)butan-2-one Traditional Name: 3-methyl-1-tetrahydrothiopyran-2-yl-butan-2-one; tosylic acid Formula: C17H26O4S2 MolecularWeight: 358.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18OS.C7H8O3S/c1-8(2)10(11)7-9-5-3-4-6-12-9;1-6-2-4-7(5-3-6)11(8,9)10/h8-9H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)