5-methylcyclopenta-1,3-diene; titanium; [2,3,4-tris(phenylmethylidene)cyclobutylidene]methylbenzene

Systemtic Name: 5-methylcyclopenta-1,3-diene; titanium; [2,3,4-tris(phenylmethylidene)cyclobutylidene]methylbenzene Openeye Name: 5-methylcyclopenta-1,3-diene; titanium; [2,3,4-tris(phenylmethylene)cyclobutylidene]methylbenzene CAS Name: 5-methylcyclopenta-1,3-diene; titanium; [2,3,4-tris(phenylmethylidene)cyclobutylidene]methylbenzene IUPAC Name: 5-methylcyclopenta-1,3-diene; titanium; [2,3,4-tris(phenylmethylidene)cyclobutylidene]methylbenzene Traditional Name: 5-methylcyclopenta-1,3-diene; titanium; [2,3,4-tris(phenylmethylene)cyclobutylidene]methylbenzene Formula: C56H48Ti2-8 MolecularWeight: 816.71432

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C1=CC=C(C=C1)[C-]=C2C(=[C-]C3=CC=CC=C3)C(=[C-]C4=CC=CC=C4)C2=[C-]C5=CC=CC=C5.[Ti].[Ti]

Isomeric SMILES

C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C[C-]1C=CC=C1.C1=CC=C(C=C1)[C-]=C2C(=[C-]C3=CC=CC=C3)C(=[C-]C4=CC=CC=C4)C2=[C-]C5=CC=CC=C5.[Ti].[Ti]

InChI

InChI=1S/C32H20.4C6H7.2Ti/c1-5-13-25(14-6-1)21-29-30(22-26-15-7-2-8-16-26)32(24-28-19-11-4-12-20-28)31(29)23-27-17-9-3-10-18-27;4*1-6-4-2-3-5-6;;/h1-20H;4*2-5H,1H3;;/q-4;4*-1;;