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1-cyclohexyl-2-(thian-2-yl)ethanone; 4-methylbenzenesulfonic acid

1-cyclohexyl-2-(thian-2-yl)ethanone; 4-methylbenzenesulfonic acid

Systemtic Name:1-cyclohexyl-2-(thian-2-yl)ethanone; 4-methylbenzenesulfonic acid
Openeye Name:1-cyclohexyl-2-tetrahydrothiopyran-2-yl-ethanone; 4-methylbenzenesulfonic acid
CAS Name:1-cyclohexyl-2-(2-thianyl)ethanone; 4-methylbenzenesulfonic acid
IUPAC Name:1-cyclohexyl-2-(thian-2-yl)ethanone; 4-methylbenzenesulfonic acid
Traditional Name:1-cyclohexyl-2-tetrahydrothiopyran-2-yl-ethanone; tosylic acid
Formula: C20H30O4S2
MolecularWeight: 398.5798
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C(=O)CC2CCCCS2


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C(=O)CC2CCCCS2


InChI

InChI=1S/C13H22OS.C7H8O3S/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12;1-6-2-4-7(5-3-6)11(8,9)10/h11-12H,1-10H2;2-5H,1H3,(H,8,9,10)


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