tert-butyl-methyl-(2-oxidanylidenehexyl)sulfanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: tert-butyl-methyl-(2-oxidanylidenehexyl)sulfanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: tert-butyl-methyl-(2-oxohexyl)sulfonium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: tert-butyl-methyl-(2-oxohexyl)sulfonium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: tert-butyl-methyl-(2-oxohexyl)sulfanium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: tert-butyl-(2-ketohexyl)-methyl-sulfonium; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C21H38O5S2 MolecularWeight: 434.65342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C[S+](C)C(C)(C)C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C

Isomeric SMILES

CCCCC(=O)C[S+](C)C(C)(C)C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C

InChI

InChI=1S/C11H23OS.C10H16O4S/c1-6-7-8-10(12)9-13(5)11(2,3)4;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h6-9H2,1-5H3;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1