cyclopentane; 1,10-phenanthroline; titanium(4+); tris(fluoranyl)methanesulfonic acid

Systemtic Name: cyclopentane; 1,10-phenanthroline; titanium(4+); tris(fluoranyl)methanesulfonic acid Openeye Name: cyclopentane; 1,10-phenanthroline; titanium(4+); trifluoromethanesulfonic acid CAS Name: cyclopentane; 1,10-phenanthroline; titanium(4+); trifluoromethanesulfonic acid IUPAC Name: cyclopentane; 1,10-phenanthroline; titanium(4+); trifluoromethanesulfonic acid Traditional Name: cyclopentane; 1,10-phenanthroline; titanium(4+); triflic acid Formula: C23H19F3N2O3STi+4 MolecularWeight: 508.33577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)O.[Ti+4]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)O.[Ti+4]

InChI

InChI=1S/C12H8N2.2C5H5.CHF3O3S.Ti/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;/h1-8H;2*1-5H;(H,5,6,7);/q;;;;+4