4-methylbenzenesulfonic acid; 2-(thiolan-2-yl)cyclohexan-1-one

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(thiolan-2-yl)cyclohexan-1-one Openeye Name: 4-methylbenzenesulfonic acid; 2-tetrahydrothiophen-2-ylcyclohexanone CAS Name: 4-methylbenzenesulfonic acid; 2-(2-thiolanyl)-1-cyclohexanone IUPAC Name: 4-methylbenzenesulfonic acid; 2-(thiolan-2-yl)cyclohexan-1-one Traditional Name: 2-tetrahydrothiophen-2-ylcyclohexanone; tosylic acid Formula: C17H24O4S2 MolecularWeight: 356.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(=O)C(C1)C2CCCS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(=O)C(C1)C2CCCS2

InChI

InChI=1S/C10H16OS.C7H8O3S/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;1-6-2-4-7(5-3-6)11(8,9)10/h8,10H,1-7H2;2-5H,1H3,(H,8,9,10)