dimethyl(phenyl)sulfanium; 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate

Systemtic Name: dimethyl(phenyl)sulfanium; 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate Openeye Name: dimethyl(phenyl)sulfonium; 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: dimethyl(phenyl)sulfonium; 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate IUPAC Name: dimethyl(phenyl)sulfanium; 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate Traditional Name: dimethyl(phenyl)sulfonium; 3-nitro-4-tosyloxy-besylate Formula: C21H21NO8S3 MolecularWeight: 511.58834

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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-].C[S+](C)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO8S2.C8H11S/c1-9-2-4-10(5-3-9)24(20,21)22-13-7-6-11(23(17,18)19)8-12(13)14(15)16;1-9(2)8-6-4-3-5-7-8/h2-8H,1H3,(H,17,18,19);3-7H,1-2H3/q;+1/p-1