ethane; 2-methylidenebutanedioate; titanium(4+); trichloride

Systemtic Name: ethane; 2-methylidenebutanedioate; titanium(4+); trichloride Openeye Name: ethane; 2-methylenebutanedioate; titanium(4+); trichloride CAS Name: ethane; 2-methylenebutanedioate; titanium(4+); trichloride IUPAC Name: ethane; 2-methylidenebutanedioate; titanium(4+); trichloride Traditional Name: ethane; itaconate; titanium(4+); trichloride Formula: C12H13Cl3O8Ti-4 MolecularWeight: 439.45282

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C=C(CC(=O)[O-])C(=O)[O-].C=C(CC(=O)[O-])C(=O)[O-].[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

C[CH2-].C=C(CC(=O)[O-])C(=O)[O-].C=C(CC(=O)[O-])C(=O)[O-].[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/2C5H6O4.C2H5.3ClH.Ti/c2*1-3(5(8)9)2-4(6)7;1-2;;;;/h2*1-2H2,(H,6,7)(H,8,9);1H2,2H3;3*1H;/q;;-1;;;;+4/p-7