bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 2-thiophen-3-ylpropanedioate

Systemtic Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 2-thiophen-3-ylpropanedioate Openeye Name: bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] 2-(3-thienyl)propanedioate CAS Name: 2-(3-thiophenyl)propanedioic acid bis[bis[(2-methyl-8-quinolinyl)oxy]gallanyl] ester IUPAC Name: bis[bis[(2-methylquinolin-8-yl)oxy]gallanyl] 2-thiophen-3-ylpropanedioate Traditional Name: 2-(3-thienyl)malonic acid bis[bis[(2-methyl-8-quinolyl)oxy]gallanyl] ester Formula: C47H36Ga2N4O8S MolecularWeight: 956.32174

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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(C5=CSC=C5)C(=O)O[Ga](OC6=CC=CC7=C6N=C(C=C7)C)OC8=CC=CC9=C8N=C(C=C9)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2O[Ga](OC3=CC=CC4=C3N=C(C=C4)C)OC(=O)C(C5=CSC=C5)C(=O)O[Ga](OC6=CC=CC7=C6N=C(C=C7)C)OC8=CC=CC9=C8N=C(C=C9)C)C=C1

InChI

InChI=1S/4C10H9NO.C7H6O4S.2Ga/c4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;8-6(9)5(7(10)11)4-1-2-12-3-4;;/h4*2-6,12H,1H3;1-3,5H,(H,8,9)(H,10,11);;/q;;;;;2*+3/p-6