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

Systemtic Name: phenyl 2-cyclopenta-1,4-dien-1-ylethanoate; titanium(2+); trichloride Openeye Name: phenyl 2-cyclopenta-1,4-dien-1-ylacetate; titanium(2+); trichloride CAS Name: 2-(1-cyclopenta-1,4-dienyl)acetic acid phenyl ester; titanium(2+); trichloride IUPAC Name: phenyl 2-cyclopenta-1,4-dien-1-ylacetate; titanium(2+); trichloride Traditional Name: 2-cyclopenta-1,4-dien-1-ylacetic acid phenyl ester; titanium(2+); trichloride Formula: C13H11Cl3O2Ti-2 MolecularWeight: 353.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=[C-]1)CC(=O)OC2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

C1C=CC(=[C-]1)CC(=O)OC2=CC=CC=C2.[Cl-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C13H11O2.3ClH.Ti/c14-13(10-11-6-4-5-7-11)15-12-8-2-1-3-9-12;;;;/h1-4,6,8-9H,5,10H2;3*1H;/q-1;;;;+2/p-3