3,3-dimethyl-1-oxidanyl-cyclopropane-1,2-dicarboxylate; gadolinium(3+)

Systemtic Name: 3,3-dimethyl-1-oxidanyl-cyclopropane-1,2-dicarboxylate; gadolinium(3+) Openeye Name: gadolinium(3+); 1-hydroxy-3,3-dimethyl-cyclopropane-1,2-dicarboxylate CAS Name: gadolinium(3+); 1-hydroxy-3,3-dimethylcyclopropane-1,2-dicarboxylate IUPAC Name: gadolinium(3+); 1-hydroxy-3,3-dimethylcyclopropane-1,2-dicarboxylate Traditional Name: gadolinium(3+); 1-hydroxy-3,3-dimethyl-cyclopropane-1,2-dicarboxylate Formula: C21H24Gd2O15 MolecularWeight: 830.90626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(=O)[O-])O)C(=O)[O-])C.CC1(C(C1(C(=O)[O-])O)C(=O)[O-])C.CC1(C(C1(C(=O)[O-])O)C(=O)[O-])C.[Gd+3].[Gd+3]

Isomeric SMILES

CC1(C(C1(C(=O)[O-])O)C(=O)[O-])C.CC1(C(C1(C(=O)[O-])O)C(=O)[O-])C.CC1(C(C1(C(=O)[O-])O)C(=O)[O-])C.[Gd+3].[Gd+3]

InChI

InChI=1S/3C7H10O5.2Gd/c3*1-6(2)3(4(8)9)7(6,12)5(10)11;;/h3*3,12H,1-2H3,(H,8,9)(H,10,11);;/q;;;2*+3/p-6