(4-tert-butylphenyl)-diphenyl-sulfanium; 3,5-dinitrobenzenesulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; 3,5-dinitrobenzenesulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 3,5-dinitrobenzenesulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 3,5-dinitrobenzenesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; 3,5-dinitrobenzenesulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 3,5-dinitrobesylate Formula: C28H26N2O7S2 MolecularWeight: 566.64524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23S.C6H4N2O7S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h4-17H,1-3H3;1-3H,(H,13,14,15)/q+1;/p-1