cyclopentane; 1,5-dimethyl-4-(5-oxidanylpentylideneamino)-2-phenyl-pyrazol-3-one; titanium(2+); trichloride

Systemtic Name: cyclopentane; 1,5-dimethyl-4-(5-oxidanylpentylideneamino)-2-phenyl-pyrazol-3-one; titanium(2+); trichloride Openeye Name: cyclopentane; 4-(5-hydroxypentylideneamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; titanium(2+); trichloride CAS Name: cyclopentane; 4-(5-hydroxypentylideneamino)-1,5-dimethyl-2-phenyl-3-pyrazolone; titanium(2+); trichloride IUPAC Name: cyclopentane; 4-(5-hydroxypentylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one; titanium(2+); trichloride Traditional Name: cyclopentane; 4-(5-hydroxypentylideneamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; titanium(2+); trichloride Formula: C21H26Cl3N3O2Ti- MolecularWeight: 506.67604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CCCCCO.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CCCCCO.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C16H21N3O2.C5H5.3ClH.Ti/c1-13-15(17-11-7-4-8-12-20)16(21)19(18(13)2)14-9-5-3-6-10-14;1-2-4-5-3-1;;;;/h3,5-6,9-11,20H,4,7-8,12H2,1-2H3;1-5H;3*1H;/q;;;;;+2/p-3