4-methylbenzenesulfonate; [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium

Systemtic Name: 4-methylbenzenesulfonate; [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium Openeye Name: (3-tert-butoxyphenyl)-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium IUPAC Name: 4-methylbenzenesulfonate; [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium Traditional Name: (3-tert-butoxyphenyl)-diphenyl-sulfonium tosylate Formula: C29H30O4S2 MolecularWeight: 506.6761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC(=CC=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC(=CC=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23OS.C7H8O3S/c1-22(2,3)23-18-11-10-16-21(17-18)24(19-12-6-4-7-13-19)20-14-8-5-9-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-17H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1