2-(3-cyclohexyl-1,4-oxathian-4-ium-4-yl)ethanal; 4-methylbenzenesulfonate

Systemtic Name: 2-(3-cyclohexyl-1,4-oxathian-4-ium-4-yl)ethanal; 4-methylbenzenesulfonate Openeye Name: 2-(3-cyclohexyl-1,4-oxathian-4-ium-4-yl)acetaldehyde; 4-methylbenzenesulfonate CAS Name: 2-(3-cyclohexyl-1,4-oxathian-4-ium-4-yl)acetaldehyde; 4-methylbenzenesulfonate IUPAC Name: 2-(3-cyclohexyl-1,4-oxathian-4-ium-4-yl)acetaldehyde; 4-methylbenzenesulfonate Traditional Name: 2-(3-cyclohexyl-1,4-oxathian-4-ium-4-yl)acetaldehyde tosylate Formula: C19H28O5S2 MolecularWeight: 400.55262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)C2COCC[S+]2CC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(CC1)C2COCC[S+]2CC=O

InChI

InChI=1S/C12H21O2S.C7H8O3S/c13-6-8-15-9-7-14-10-12(15)11-4-2-1-3-5-11;1-6-2-4-7(5-3-6)11(8,9)10/h6,11-12H,1-5,7-10H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1