digallium; 2,2-dimethylpropanoate; 2-methylquinolin-8-ol; tribenzoate

Systemtic Name: digallium; 2,2-dimethylpropanoate; 2-methylquinolin-8-ol; tribenzoate Openeye Name: digallium; 2,2-dimethylpropanoate; 2-methylquinolin-8-ol; tribenzoate CAS Name: digallium; 2,2-dimethylpropanoate; 2-methyl-8-quinolinol; tribenzoate IUPAC Name: digallium; 2,2-dimethylpropanoate; 2-methylquinolin-8-ol; tribenzoate Traditional Name: digallium; 2,2-dimethylpropionate; 2-methylquinolin-8-ol; tribenzoate Formula: C76H78Ga2N4O16 MolecularWeight: 1442.89572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2O)C=C1.CC1=NC2=C(C=CC=C2O)C=C1.CC1=NC2=C(C=CC=C2O)C=C1.CC1=NC2=C(C=CC=C2O)C=C1.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ga+3].[Ga+3]

Isomeric SMILES

CC1=NC2=C(C=CC=C2O)C=C1.CC1=NC2=C(C=CC=C2O)C=C1.CC1=NC2=C(C=CC=C2O)C=C1.CC1=NC2=C(C=CC=C2O)C=C1.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ga+3].[Ga+3]

InChI

InChI=1S/4C10H9NO.3C7H6O2.3C5H10O2.2Ga/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;3*8-7(9)6-4-2-1-3-5-6;3*1-5(2,3)4(6)7;;/h4*2-6,12H,1H3;3*1-5H,(H,8,9);3*1-3H3,(H,6,7);;/q;;;;;;;;;;2*+3/p-6