bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 2-butylpropanedioate

Systemtic Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 2-butylpropanedioate Openeye Name: bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] 2-butylpropanedioate CAS Name: 2-butylpropanedioic acid bis[bis[(2-methyl-8-quinolinyl)oxy]gallanyl] ester IUPAC Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 2-butylpropanedioate Traditional Name: 2-butylmalonic 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:

CCCCC(C(=O)O[Ga](OC1=CC=CC2=C1N=C(C=C2)C)OC3=CC=CC4=C3N=C(C=C4)C)C(=O)O[Ga](OC5=CC=CC6=C5N=C(C=C6)C)OC7=CC=CC8=C7N=C(C=C8)C

Isomeric SMILES

CCCCC(C(=O)O[Ga](OC1=CC=CC2=C1N=C(C=C2)C)OC3=CC=CC4=C3N=C(C=C4)C)C(=O)O[Ga](OC5=CC=CC6=C5N=C(C=C6)C)OC7=CC=CC8=C7N=C(C=C8)C

InChI

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