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

Systemtic Name: methyl 2-cyclopenta-1,4-dien-1-ylethanoate; 2-methylpropane; titanium(2+); trichloride Openeye Name: methyl 2-cyclopenta-1,4-dien-1-ylacetate; 2-methylpropane; titanium(2+); trichloride CAS Name: 2-(1-cyclopenta-1,4-dienyl)acetic acid methyl ester; 2-methylpropane; titanium(2+); trichloride IUPAC Name: methyl 2-cyclopenta-1,4-dien-1-ylacetate; 2-methylpropane; titanium(2+); trichloride Traditional Name: 2-cyclopenta-1,4-dien-1-ylacetic acid methyl ester; 2-methylpropane; titanium(2+); trichloride Formula: C12H18Cl3O2Ti-3 MolecularWeight: 348.49612

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Descriptors Computed from Structure

Canonical SMILES:

C[C-](C)C.COC(=O)CC1=[C-]CC=C1.[Cl-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

C[C-](C)C.COC(=O)CC1=[C-]CC=C1.[Cl-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C8H9O2.C4H9.3ClH.Ti/c1-10-8(9)6-7-4-2-3-5-7;1-4(2)3;;;;/h2,4H,3,6H2,1H3;1-3H3;3*1H;/q2*-1;;;;+2/p-3