cyclooctane; 3-diphenylphosphanylpropyl(diphenyl)phosphane; rhodium; tris(fluoranyl)methanesulfonate

Systemtic Name: cyclooctane; 3-diphenylphosphanylpropyl(diphenyl)phosphane; rhodium; tris(fluoranyl)methanesulfonate Openeye Name: cyclooctane; 3-diphenylphosphanylpropyl(diphenyl)phosphane; rhodium; trifluoromethanesulfonate CAS Name: cyclooctane; 3-diphenylphosphinopropyl(diphenyl)phosphine; rhodium; trifluoromethanesulfonate IUPAC Name: cyclooctane; 3-diphenylphosphanylpropyl(diphenyl)phosphane; rhodium; trifluoromethanesulfonate Traditional Name: cyclooctane; 3-diphenylphosphinopropyl(diphenyl)phosphine; rhodium; triflate Formula: C36H38F3O3P2RhS- MolecularWeight: 772.598352

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Descriptors Computed from Structure

Canonical SMILES:

C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].[Rh]

Isomeric SMILES

C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].[Rh]

InChI

InChI=1S/C27H26P2.C8H12.CHF3O3S.Rh/c1-5-14-24(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;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h1-12,14-21H,13,22-23H2;1-2,7-8H,3-6H2;(H,5,6,7);/p-1