4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

Systemtic Name: 4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: 4-(p-tolylsulfonyloxy)benzenesulfonate; tris(4-tert-butoxyphenyl)sulfonium CAS Name: 4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: 4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: 4-tosyloxybesylate; tris(4-tert-butoxyphenyl)sulfonium Formula: C43H50O9S3 MolecularWeight: 807.0467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CC=C(C=C3)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CC=C(C=C3)OC(C)(C)C

InChI

InChI=1S/C30H39O3S.C13H12O6S2/c1-28(2,3)31-22-10-16-25(17-11-22)34(26-18-12-23(13-19-26)32-29(4,5)6)27-20-14-24(15-21-27)33-30(7,8)9;1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16/h10-21H,1-9H3;2-9H,1H3,(H,14,15,16)/q+1;/p-1