2-(2-cyclohexyl-1,4-dithian-1-ium-1-yl)ethanal; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: 2-(2-cyclohexyl-1,4-dithian-1-ium-1-yl)ethanal; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: 2-(2-cyclohexyl-1,4-dithian-1-ium-1-yl)acetaldehyde; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: 2-(2-cyclohexyl-1,4-dithian-1-ium-1-yl)acetaldehyde; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: 2-(2-cyclohexyl-1,4-dithian-1-ium-1-yl)acetaldehyde; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: 2-(2-cyclohexyl-1,4-dithian-1-ium-1-yl)acetaldehyde; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C22H36O5S3 MolecularWeight: 476.71324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1CCC(CC1)C2CSCC[S+]2CC=O

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1CCC(CC1)C2CSCC[S+]2CC=O

InChI

InChI=1S/C12H21OS2.C10H16O4S/c13-6-8-15-9-7-14-10-12(15)11-4-2-1-3-5-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h6,11-12H,1-5,7-10H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1