(4-cyanophenyl)-triphenyl-phosphanium; sulfonatooxy sulfate

Systemtic Name: (4-cyanophenyl)-triphenyl-phosphanium; sulfonatooxy sulfate Openeye Name: (4-cyanophenyl)-triphenyl-phosphonium; sulfonatooxy sulfate CAS Name: (4-cyanophenyl)-triphenylphosphonium; sulfonatooxy sulfate IUPAC Name: (4-cyanophenyl)-triphenylphosphanium; sulfonatooxy sulfate Traditional Name: (4-cyanophenyl)-triphenyl-phosphonium; sulfato sulfate Formula: C50H38N2O8P2S2 MolecularWeight: 920.922842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C#N.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C#N.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C#N.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C#N.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

InChI

InChI=1S/2C25H19NP.H2O8S2/c2*26-20-21-16-18-25(19-17-21)27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;1-9(2,3)7-8-10(4,5)6/h2*1-19H;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2