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

Systemtic Name: 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonate; tris-p-tolylsulfonium CAS Name: 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 3-keto-4,7,7-trimethyl-norbornane-2-sulfonate; tris-p-tolylsulfonium Formula: C31H36O4S2 MolecularWeight: 536.74514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C

InChI

InChI=1S/C21H21S.C10H16O4S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h4-15H,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13,14)/q+1;/p-1