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

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(2-oxidanylidenehexyl)thian-4-one Openeye Name: 4-methylbenzenesulfonic acid; 2-(2-oxohexyl)tetrahydrothiopyran-4-one CAS Name: 4-methylbenzenesulfonic acid; 2-(2-oxohexyl)-4-thianone IUPAC Name: 4-methylbenzenesulfonic acid; 2-(2-oxohexyl)thian-4-one Traditional Name: 2-(2-ketohexyl)tetrahydrothiopyran-4-one; tosylic acid Formula: C18H26O5S2 MolecularWeight: 386.52604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18O2S.C7H8O3S/c1-2-3-4-9(12)7-11-8-10(13)5-6-14-11;1-6-2-4-7(5-3-6)11(8,9)10/h11H,2-8H2,1H3;2-5H,1H3,(H,8,9,10)