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

Systemtic Name: bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-pyridin-3-yl-sulfanium; 4-methylbenzenesulfonate Openeye Name: bis[4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-(3-pyridyl)sulfonium; 4-methylbenzenesulfonate CAS Name: bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-(3-pyridinyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-pyridin-3-ylsulfanium; 4-methylbenzenesulfonate Traditional Name: bis[4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-(3-pyridyl)sulfonium tosylate Formula: C36H41NO9S2 MolecularWeight: 695.84204

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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=CN=CC=C3

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=CN=CC=C3

InChI

InChI=1S/C29H34NO6S.C7H8O3S/c1-28(2,3)35-26(31)19-33-21-9-13-23(14-10-21)37(25-8-7-17-30-18-25)24-15-11-22(12-16-24)34-20-27(32)36-29(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-18H,19-20H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1