2-butylcyclopenta-1,3-diene; (diphenylmethylidene)titanium(2+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; (diphenylmethylidene)titanium(2+); dichloride Openeye Name: benzhydrylidenetitanium(2+); 2-butylcyclopenta-1,3-diene; dichloride CAS Name: 2-butylcyclopenta-1,3-diene; (diphenylmethylene)titanium(2+); dichloride IUPAC Name: benzhydrylidenetitanium(2+); 2-butylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenetitanium(2+); 2-butylcyclopenta-1,3-diene; dichloride Formula: C31H36Cl2Ti-2 MolecularWeight: 527.39054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H10.2C9H13.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-3-6-9-7-4-5-8-9;;;/h1-10H;2*4,7H,2-3,5-6H2,1H3;2*1H;/q;2*-1;;;+2/p-2