2,3-bis(oxidanyl)butanedioate; propan-2-olate; titanium(4+)

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; propan-2-olate; titanium(4+) Openeye Name: 2,3-dihydroxybutanedioate; propan-2-olate; titanium(4+) CAS Name: 2,3-dihydroxybutanedioate; 2-propanolate; titanium(4+) IUPAC Name: 2,3-dihydroxybutanedioate; propan-2-olate; titanium(4+) Traditional Name: propan-2-olate; titanium(4+); tetratartrate Formula: C28H44O28Ti3 MolecularWeight: 972.23316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C4H6O6.4C3H7O.3Ti/c4*5-1(3(7)8)2(6)4(9)10;4*1-3(2)4;;;/h4*1-2,5-6H,(H,7,8)(H,9,10);4*3H,1-2H3;;;/q;;;;4*-1;3*+4/p-8