3,5-bis(chloranyl)-1-phenyl-4H-pyrazol-4-ide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: 3,5-bis(chloranyl)-1-phenyl-4H-pyrazol-4-ide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; 3,5-dichloro-1-phenyl-4H-pyrazol-4-ide; titanium(4+) CAS Name: cyclopenta-1,3-diene; 3,5-dichloro-1-phenyl-4H-pyrazol-4-ide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; 3,5-dichloro-1-phenyl-4H-pyrazol-4-ide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 3,5-dichloro-1-phenyl-4H-pyrazol-4-ide; titanium(4+) Formula: C28H20Cl4N4Ti MolecularWeight: 602.1642

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)N2C(=[C-]C(=N2)Cl)Cl.C1=CC=C(C=C1)N2C(=[C-]C(=N2)Cl)Cl.[Ti+4]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)N2C(=[C-]C(=N2)Cl)Cl.C1=CC=C(C=C1)N2C(=[C-]C(=N2)Cl)Cl.[Ti+4]

InChI

InChI=1S/2C9H5Cl2N2.2C5H5.Ti/c2*10-8-6-9(11)13(12-8)7-4-2-1-3-5-7;2*1-2-4-5-3-1;/h2*1-5H;2*1-3H,4H2;/q4*-1;+4