4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium

Systemtic Name: 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium Openeye Name: (4-tert-butoxyphenyl)-diphenyl-sulfonium; 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium IUPAC Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium Traditional Name: (4-tert-butoxyphenyl)-diphenyl-sulfonium; 3-nitro-4-tosyloxy-besylate Formula: C35H33NO9S3 MolecularWeight: 707.83282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23OS.C13H11NO8S2/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-9-2-4-10(5-3-9)24(20,21)22-13-7-6-11(23(17,18)19)8-12(13)14(15)16/h4-17H,1-3H3;2-8H,1H3,(H,17,18,19)/q+1;/p-1