chloranyltitanium(3+); cyclopentane; 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenolate

Systemtic Name: chloranyltitanium(3+); cyclopentane; 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]phenolate Openeye Name: chlorotitanium(3+); cyclopentane; 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]phenolate CAS Name: chlorotitanium(3+); cyclopentane; 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]phenolate IUPAC Name: chlorotitanium(3+); cyclopentane; 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenolate Traditional Name: chlorotitanium(3+); cyclopentane; 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenolate Formula: C41H37ClN6O4Ti+ MolecularWeight: 761.09028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3[O-].[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3[O-].[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

InChI

InChI=1S/2C18H17N3O2.C5H5.ClH.Ti/c2*1-13-17(19-12-14-8-6-7-11-16(14)22)18(23)21(20(13)2)15-9-4-3-5-10-15;1-2-4-5-3-1;;/h2*3-12,22H,1-2H3;1-5H;1H;/q;;;;+4/p-3