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

Systemtic Name: bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-phenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: bis[4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-phenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium; 4-methylbenzenesulfonate Traditional Name: bis[4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-phenyl-sulfonium tosylate Formula: C37H42O9S2 MolecularWeight: 694.85398

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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=CC=C2)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=CC=C2)C3=CC=C(C=C3)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C30H35O6S.C7H8O3S/c1-29(2,3)35-27(31)20-33-22-12-16-25(17-13-22)37(24-10-8-7-9-11-24)26-18-14-23(15-19-26)34-21-28(32)36-30(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-19H,20-21H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1