4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; tris(4-tert-butylphenyl)sulfanium

Systemtic Name: 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 3-nitro-4-tosyloxy-besylate; tris(4-tert-butylphenyl)sulfonium Formula: C43H49NO8S3 MolecularWeight: 804.04606

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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)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C

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)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H39S.C13H11NO8S2/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;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/h10-21H,1-9H3;2-8H,1H3,(H,17,18,19)/q+1;/p-1