cyclooctane; [1-(2-methylquinazolin-4-yl)naphthalen-2-yl]-diphenyl-phosphane; rhodium; tris(fluoranyl)methanesulfonate

Systemtic Name: cyclooctane; [1-(2-methylquinazolin-4-yl)naphthalen-2-yl]-diphenyl-phosphane; rhodium; tris(fluoranyl)methanesulfonate Openeye Name: cyclooctane; [1-(2-methylquinazolin-4-yl)-2-naphthyl]-diphenyl-phosphane; rhodium; trifluoromethanesulfonate CAS Name: cyclooctane; [1-(2-methyl-4-quinazolinyl)-2-naphthalenyl]-diphenylphosphine; rhodium; trifluoromethanesulfonate IUPAC Name: cyclooctane; [1-(2-methylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane; rhodium; trifluoromethanesulfonate Traditional Name: cyclooctane; [1-(2-methylquinazolin-4-yl)-2-naphthyl]-diphenyl-phosphine; rhodium; triflate Formula: C40H35F3N2O3PRhS- MolecularWeight: 814.656971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)C3=C(C=CC4=CC=CC=C43)P(C5=CC=CC=C5)C6=CC=CC=C6.C1C[CH][CH]CC[CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)C3=C(C=CC4=CC=CC=C43)P(C5=CC=CC=C5)C6=CC=CC=C6.C1C[CH][CH]CC[CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]

InChI

InChI=1S/C31H23N2P.C8H12.CHF3O3S.Rh/c1-22-32-28-19-11-10-18-27(28)31(33-22)30-26-17-9-8-12-23(26)20-21-29(30)34(24-13-4-2-5-14-24)25-15-6-3-7-16-25;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h2-21H,1H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1