2,2-diethylpropanedioate; titanium(4+); diphenoxide

Systemtic Name: 2,2-diethylpropanedioate; titanium(4+); diphenoxide Openeye Name: 2,2-diethylpropanedioate; titanium(4+); diphenoxide CAS Name: 2,2-diethylpropanedioate; titanium(4+); diphenoxide IUPAC Name: 2,2-diethylpropanedioate; titanium(4+); diphenoxide Traditional Name: 2,2-diethylmalonate; titanium(4+); diphenoxide Formula: C40H50O18Ti-6 MolecularWeight: 866.6812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])C(=O)[O-].CCC(CC)(C(=O)[O-])C(=O)[O-].CCC(CC)(C(=O)[O-])C(=O)[O-].CCC(CC)(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+4]

Isomeric SMILES

CCC(CC)(C(=O)[O-])C(=O)[O-].CCC(CC)(C(=O)[O-])C(=O)[O-].CCC(CC)(C(=O)[O-])C(=O)[O-].CCC(CC)(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+4]

InChI

InChI=1S/4C7H12O4.2C6H6O.Ti/c4*1-3-7(4-2,5(8)9)6(10)11;2*7-6-4-2-1-3-5-6;/h4*3-4H2,1-2H3,(H,8,9)(H,10,11);2*1-5,7H;/q;;;;;;+4/p-10