bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 3,3-dimethylpentanedioate

Systemtic Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 3,3-dimethylpentanedioate Openeye Name: bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] 3,3-dimethylpentanedioate CAS Name: 3,3-dimethylpentanedioic acid bis[bis[(2-methyl-8-quinolinyl)oxy]gallanyl] ester IUPAC Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 3,3-dimethylpentanedioate Traditional Name: 3,3-dimethylglutaric acid bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] ester Formula: C47H42Ga2N4O8 MolecularWeight: 930.30438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2O[Ga](OC3=CC=CC4=C3N=C(C=C4)C)OC(=O)CC(C)(C)CC(=O)O[Ga](OC5=CC=CC6=C5N=C(C=C6)C)OC7=CC=CC8=C7N=C(C=C8)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2O[Ga](OC3=CC=CC4=C3N=C(C=C4)C)OC(=O)CC(C)(C)CC(=O)O[Ga](OC5=CC=CC6=C5N=C(C=C6)C)OC7=CC=CC8=C7N=C(C=C8)C)C=C1

InChI

InChI=1S/4C10H9NO.C7H12O4.2Ga/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-7(2,3-5(8)9)4-6(10)11;;/h4*2-6,12H,1H3;3-4H2,1-2H3,(H,8,9)(H,10,11);;/q;;;;;2*+3/p-6