bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] (E)-2-methylbut-2-enedioate

Systemtic Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] (E)-2-methylbut-2-enedioate Openeye Name: bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] (E)-2-methylbut-2-enedioate CAS Name: (E)-2-methyl-2-butenedioic acid bis[bis[(2-methyl-8-quinolinyl)oxy]gallanyl] ester IUPAC Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] (E)-2-methylbut-2-enedioate Traditional Name: (E)-2-methylbut-2-enedioic acid bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] ester Formula: C45H36Ga2N4O8 MolecularWeight: 900.23534

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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)C=C(C)C(=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)/C=C(\C)/C(=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.C5H6O4.2Ga/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-3(5(8)9)2-4(6)7;;/h4*2-6,12H,1H3;2H,1H3,(H,6,7)(H,8,9);;/q;;;;;2*+3/p-6/b;;;;3-2+;;