bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 3-tert-butylhexanedioate

Systemtic Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 3-tert-butylhexanedioate Openeye Name: bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] 3-tert-butylhexanedioate CAS Name: 3-tert-butylhexanedioic acid bis[bis[(2-methyl-8-quinolinyl)oxy]gallanyl] ester IUPAC Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 3-tert-butylhexanedioate Traditional Name: 3-tert-butyladipic acid bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] ester Formula: C50H48Ga2N4O8 MolecularWeight: 972.38412

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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)CCC(CC(=O)O[Ga](OC5=CC=CC6=C5N=C(C=C6)C)OC7=CC=CC8=C7N=C(C=C8)C)C(C)(C)C)C=C1

Isomeric SMILES

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

InChI

InChI=1S/4C10H9NO.C10H18O4.2Ga/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-10(2,3)7(6-9(13)14)4-5-8(11)12;;/h4*2-6,12H,1H3;7H,4-6H2,1-3H3,(H,11,12)(H,13,14);;/q;;;;;2*+3/p-6