cyclopenta-1,3-diene; 2,5-diphenyl-1H-phosphole; titanium(3+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,5-diphenyl-1H-phosphole; titanium(3+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,5-diphenyl-1H-phosphole; titanium(3+); dichloride CAS Name: cyclopenta-1,3-diene; 2,5-diphenyl-1H-phosphole; titanium(3+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,5-diphenyl-1H-phosphole; titanium(3+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,5-diphenyl-1H-phosphole; titanium(3+); dichloride Formula: C21H18Cl2PTi MolecularWeight: 420.114381

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1=CC=C(C=C1)C2=CC=C(P2)C3=CC=CC=C3.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C1C=CC=[C-]1.C1=CC=C(C=C1)C2=CC=C(P2)C3=CC=CC=C3.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C16H13P.C5H5.2ClH.Ti/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14;1-2-4-5-3-1;;;/h1-12,17H;1-3H,4H2;2*1H;/q;-1;;;+3/p-2