4-methylbenzenesulfonate; tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium

Systemtic Name: 4-methylbenzenesulfonate; tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium Openeye Name: 4-methylbenzenesulfonate; tris[4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]sulfonium CAS Name: 4-methylbenzenesulfonate; tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium Traditional Name: tris[4-(2-tert-butoxy-2-keto-ethoxy)phenyl]sulfonium tosylate Formula: C43H52O12S2 MolecularWeight: 824.99578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCC(=O)OC(C)(C)C)C3=CC=C(C=C3)OCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCC(=O)OC(C)(C)C)C3=CC=C(C=C3)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C36H45O9S.C7H8O3S/c1-34(2,3)43-31(37)22-40-25-10-16-28(17-11-25)46(29-18-12-26(13-19-29)41-23-32(38)44-35(4,5)6)30-20-14-27(15-21-30)42-24-33(39)45-36(7,8)9;1-6-2-4-7(5-3-6)11(8,9)10/h10-21H,22-24H2,1-9H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1