benzenesulfonate; [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenyl-sulfanium

Systemtic Name: benzenesulfonate; [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenyl-sulfanium Openeye Name: benzenesulfonate; [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenyl-sulfonium CAS Name: benzenesulfonate; [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfonium IUPAC Name: benzenesulfonate; [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium Traditional Name: [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenyl-sulfonium dibesylate Formula: C48H38O7S4 MolecularWeight: 855.07112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=C(C=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=C(C=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C36H28OS2.2C6H6O3S/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;2*7-10(8,9)6-4-2-1-3-5-6/h1-28H;2*1-5H,(H,7,8,9)/q+2;;/p-2