bis(oxidanylidene)rhenium; 3-diphenylphosphaniumylpropyl(diphenyl)phosphanium

Systemtic Name: bis(oxidanylidene)rhenium; 3-diphenylphosphaniumylpropyl(diphenyl)phosphanium Openeye Name: dioxorhenium; 3-diphenylphosphaniumylpropyl(diphenyl)phosphonium CAS Name: dioxorhenium; 3-diphenylphosphiniumylpropyl(diphenyl)phosphonium IUPAC Name: dioxorhenium; 3-diphenylphosphaniumylpropyl(diphenyl)phosphanium Traditional Name: diketorhenium; 3-diphenylphosphiniumylpropyl(diphenyl)phosphonium Formula: C54H56O2P4Re+4 MolecularWeight: 1047.123284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](CCC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](CCC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.O=[Re]=O

Isomeric SMILES

C1=CC=C(C=C1)[PH+](CCC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](CCC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.O=[Re]=O

InChI

InChI=1S/2C27H26P2.2O.Re/c2*1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h2*1-12,14-21H,13,22-23H2;;;/p+4