cyclopentane; oxoazanide; quinoline; rhenium; triphenylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: cyclopentane; oxoazanide; quinoline; rhenium; triphenylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: cyclopentane; nitroxyl anion; quinoline; rhenium; trifluoromethanesulfonate; triphenylphosphane CAS Name: cyclopentane; nitroxyl anion; quinoline; rhenium; trifluoromethanesulfonate; triphenylphosphine IUPAC Name: cyclopentane; nitroxyl anion; quinoline; rhenium; trifluoromethanesulfonate; triphenylphosphane Traditional Name: cyclopentane; nitroxyl anion; quinoline; rhenium; triphenylphosphine; triflate Formula: C33H27F3N2O4PReS-2 MolecularWeight: 821.819451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=N2.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[N-]=O.[Re]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=N2.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[N-]=O.[Re]

InChI

InChI=1S/C18H15P.C9H7N.C5H5.CHF3O3S.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-5-3-1;2-1(3,4)8(5,6)7;1-2;/h1-15H;1-7H;1-5H;(H,5,6,7);;/q;;;;-1;/p-1