carbanide; 2-phenylaniline; 1-(phenylmethoxymethyl)-3-propyl-4H-pyrazol-4-ide; titanium(2+); trichloride

Systemtic Name: carbanide; 2-phenylaniline; 1-(phenylmethoxymethyl)-3-propyl-4H-pyrazol-4-ide; titanium(2+); trichloride Openeye Name: 1-(benzyloxymethyl)-3-propyl-4H-pyrazol-4-ide; carbanide; 2-phenylaniline; titanium(2+); trichloride CAS Name: carbanide; 2-phenylaniline; 1-(phenylmethoxymethyl)-3-propyl-4H-pyrazol-4-ide; titanium(2+); trichloride IUPAC Name: carbanide; 2-phenylaniline; 1-(phenylmethoxymethyl)-3-propyl-4H-pyrazol-4-ide; titanium(2+); trichloride Traditional Name: 1-(benzoxymethyl)-3-propyl-4H-pyrazol-4-ide; carbanide; (2-phenylphenyl)amine; titanium(2+); trichloride Formula: C27H31Cl3N3OTi-3 MolecularWeight: 567.78054

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CCCC1=NN(C=[C-]1)COCC2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2N.[Cl-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

[CH3-].CCCC1=NN(C=[C-]1)COCC2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2N.[Cl-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C14H17N2O.C12H11N.CH3.3ClH.Ti/c1-2-6-14-9-10-16(15-14)12-17-11-13-7-4-3-5-8-13;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;;/h3-5,7-8,10H,2,6,11-12H2,1H3;1-9H,13H2;1H3;3*1H;/q-1;;-1;;;;+2/p-3