2-(2-cyclohexyl-4-oxidanylidene-thian-2-yl)ethanal; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(2-cyclohexyl-4-oxidanylidene-thian-2-yl)ethanal; 4-methylbenzenesulfonic acid Openeye Name: 2-(2-cyclohexyl-4-oxo-tetrahydrothiopyran-2-yl)acetaldehyde; 4-methylbenzenesulfonic acid CAS Name: 2-(2-cyclohexyl-4-oxo-2-thianyl)acetaldehyde; 4-methylbenzenesulfonic acid IUPAC Name: 2-(2-cyclohexyl-4-oxothian-2-yl)acetaldehyde; 4-methylbenzenesulfonic acid Traditional Name: 2-(2-cyclohexyl-4-keto-tetrahydrothiopyran-2-yl)acetaldehyde; tosylic acid Formula: C20H28O5S2 MolecularWeight: 412.56332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C2(CC(=O)CCS2)CC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C2(CC(=O)CCS2)CC=O

InChI

InChI=1S/C13H20O2S.C7H8O3S/c14-8-7-13(10-12(15)6-9-16-13)11-4-2-1-3-5-11;1-6-2-4-7(5-3-6)11(8,9)10/h8,11H,1-7,9-10H2;2-5H,1H3,(H,8,9,10)