(4-tert-butylphenyl)-diphenyl-sulfanium; 3-nitrobenzenesulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; 3-nitrobenzenesulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 3-nitrobenzenesulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 3-nitrobenzenesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; 3-nitrobenzenesulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 3-nitrobesylate Formula: C28H27NO5S2 MolecularWeight: 521.64768

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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=CC(=CC(=C1)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=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23S.C6H5NO5S/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;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h4-17H,1-3H3;1-4H,(H,10,11,12)/q+1;/p-1