2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)ethanal; 4-methylbenzenesulfonate

Systemtic Name: 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)ethanal; 4-methylbenzenesulfonate Openeye Name: 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde; 4-methylbenzenesulfonate CAS Name: 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde; 4-methylbenzenesulfonate IUPAC Name: 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde; 4-methylbenzenesulfonate Traditional Name: 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde tosylate Formula: C18H26O4S3 MolecularWeight: 402.59164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(C1)C2CSCC[S+]2CC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(C1)C2CSCC[S+]2CC=O

InChI

InChI=1S/C11H19OS2.C7H8O3S/c12-5-7-14-8-6-13-9-11(14)10-3-1-2-4-10;1-6-2-4-7(5-3-6)11(8,9)10/h5,10-11H,1-4,6-9H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1