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

Systemtic Name: bis(4-dimethylaminophenyl)-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: [4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-bis(4-dimethylaminophenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: bis(4-dimethylaminophenyl)-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis(4-dimethylaminophenyl)-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-bis(4-dimethylaminophenyl)sulfonium tosylate Formula: C35H42N2O6S2 MolecularWeight: 650.84778

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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)N(C)C)C3=CC=C(C=C3)N(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)N(C)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C28H35N2O3S.C7H8O3S/c1-28(2,3)33-27(31)20-32-23-12-18-26(19-13-23)34(24-14-8-21(9-15-24)29(4)5)25-16-10-22(11-17-25)30(6)7;1-6-2-4-7(5-3-6)11(8,9)10/h8-19H,20H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1