bis[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-pyridin-2-yl-sulfanium; 2,4-dimethylbenzenesulfonate

Systemtic Name: bis[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-pyridin-2-yl-sulfanium; 2,4-dimethylbenzenesulfonate Openeye Name: bis[3-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-(2-pyridyl)sulfonium; 2,4-dimethylbenzenesulfonate CAS Name: bis[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-(2-pyridinyl)sulfonium; 2,4-dimethylbenzenesulfonate IUPAC Name: bis[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-pyridin-2-ylsulfanium; 2,4-dimethylbenzenesulfonate Traditional Name: bis[3-(2-tert-butoxy-2-keto-ethoxy)phenyl]-(2-pyridyl)sulfonium; 2,4-dimethylbesylate Formula: C37H43NO9S2 MolecularWeight: 709.86862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.CC(C)(C)OC(=O)COC1=CC(=CC=C1)[S+](C2=CC=CC(=C2)OCC(=O)OC(C)(C)C)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.CC(C)(C)OC(=O)COC1=CC(=CC=C1)[S+](C2=CC=CC(=C2)OCC(=O)OC(C)(C)C)C3=CC=CC=N3

InChI

InChI=1S/C29H34NO6S.C8H10O3S/c1-28(2,3)35-26(31)19-33-21-11-9-13-23(17-21)37(25-15-7-8-16-30-25)24-14-10-12-22(18-24)34-20-27(32)36-29(4,5)6;1-6-3-4-8(7(2)5-6)12(9,10)11/h7-18H,19-20H2,1-6H3;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1