dicyclohexyl(phenyl)sulfanium; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate

Systemtic Name: dicyclohexyl(phenyl)sulfanium; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate Openeye Name: dicyclohexyl(phenyl)sulfonium; 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonate CAS Name: dicyclohexyl(phenyl)sulfonium; 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonate IUPAC Name: dicyclohexyl(phenyl)sulfanium; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate Traditional Name: dicyclohexyl(phenyl)sulfonium; 3-keto-4,7,7-trimethyl-norbornane-2-sulfonate Formula: C28H42O4S2 MolecularWeight: 506.76068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.C1CCC(CC1)[S+](C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.C1CCC(CC1)[S+](C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H27S.C10H16O4S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;6-7H,4-5H2,1-3H3,(H,12,13,14)/q+1;/p-1