(4-oxidanyl-5-oxidanylidene-4,5-diphenyl-pentyl)-triphenyl-phosphanium sulfate

Systemtic Name: (4-oxidanyl-5-oxidanylidene-4,5-diphenyl-pentyl)-triphenyl-phosphanium sulfate Openeye Name: (4-hydroxy-5-oxo-4,5-diphenyl-pentyl)-triphenyl-phosphonium sulfate CAS Name: (4-hydroxy-5-oxo-4,5-diphenylpentyl)-triphenylphosphonium sulfate IUPAC Name: (4-hydroxy-5-oxo-4,5-diphenylpentyl)-triphenylphosphanium sulfate Traditional Name: (4-hydroxy-5-keto-4,5-diphenyl-pentyl)-triphenyl-phosphonium sulfate Formula: C70H64O8P2S MolecularWeight: 1127.264882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C35H32O2P.H2O4S/c2*36-34(29-17-6-1-7-18-29)35(37,30-19-8-2-9-20-30)27-16-28-38(31-21-10-3-11-22-31,32-23-12-4-13-24-32)33-25-14-5-15-26-33;1-5(2,3)4/h2*1-15,17-26,37H,16,27-28H2;(H2,1,2,3,4)/q2*+1;/p-2