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

Systemtic Name: 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 3-keto-4,7,7-trimethyl-norbornane-2-sulfonate; tris(4-tert-butylphenyl)sulfonium Formula: C40H54O4S2 MolecularWeight: 662.98436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39S.C10H16O4S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h10-21H,1-9H3;6-7H,4-5H2,1-3H3,(H,12,13,14)/q+1;/p-1