1-cyclopenta-1,4-dien-1-ylpentaphene; titanium(2+); trichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-ylpentaphene; titanium(2+); trichloride Openeye Name: 1-cyclopenta-1,4-dien-1-ylpentaphene; titanium(2+); trichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)pentaphene; titanium(2+); trichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-ylpentaphene; titanium(2+); trichloride Traditional Name: 1-cyclopenta-1,4-dien-1-ylpentaphene; titanium(2+); trichloride Formula: C27H17Cl3Ti-2 MolecularWeight: 495.64988

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=[C-]1)C2=CC=CC3=CC4=C(C=C32)C5=CC6=CC=CC=C6C=C5C=C4.[Cl-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

C1C=CC(=[C-]1)C2=CC=CC3=CC4=C(C=C32)C5=CC6=CC=CC=C6C=C5C=C4.[Cl-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C27H17.3ClH.Ti/c1-2-7-18(6-1)24-11-5-10-21-15-23-13-12-22-14-19-8-3-4-9-20(19)16-25(22)27(23)17-26(21)24;;;;/h1,3-6,8-17H,2H2;3*1H;/q-1;;;;+2/p-3