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

Systemtic Name: 3,3-dimethyl-1-(thian-2-yl)butan-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3,3-dimethyl-1-tetrahydrothiopyran-2-yl-butan-2-one; 4-methylbenzenesulfonic acid CAS Name: 3,3-dimethyl-1-(2-thianyl)-2-butanone; 4-methylbenzenesulfonic acid IUPAC Name: 3,3-dimethyl-1-(thian-2-yl)butan-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3,3-dimethyl-1-tetrahydrothiopyran-2-yl-butan-2-one; tosylic acid Formula: C18H28O4S2 MolecularWeight: 372.54252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20OS.C7H8O3S/c1-11(2,3)10(12)8-9-6-4-5-7-13-9;1-6-2-4-7(5-3-6)11(8,9)10/h9H,4-8H2,1-3H3;2-5H,1H3,(H,8,9,10)