4-methylbenzenesulfonic acid; 2-(2-oxidanylidenebutyl)thian-4-one

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(2-oxidanylidenebutyl)thian-4-one Openeye Name: 4-methylbenzenesulfonic acid; 2-(2-oxobutyl)tetrahydrothiopyran-4-one CAS Name: 4-methylbenzenesulfonic acid; 2-(2-oxobutyl)-4-thianone IUPAC Name: 4-methylbenzenesulfonic acid; 2-(2-oxobutyl)thian-4-one Traditional Name: 2-(2-ketobutyl)tetrahydrothiopyran-4-one; tosylic acid Formula: C16H22O5S2 MolecularWeight: 358.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1CC(=O)CCS1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(=O)CC1CC(=O)CCS1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H14O2S.C7H8O3S/c1-2-7(10)5-9-6-8(11)3-4-12-9;1-6-2-4-7(5-3-6)11(8,9)10/h9H,2-6H2,1H3;2-5H,1H3,(H,8,9,10)