aluminum 4-(aminocarbonylamino)-3-chloranyl-1-oxidanyl-2,5-bis(oxidanylidene)imidazolidine-4-carboxylate

Systemtic Name: aluminum 4-(aminocarbonylamino)-3-chloranyl-1-oxidanyl-2,5-bis(oxidanylidene)imidazolidine-4-carboxylate Openeye Name: aluminum 3-chloro-1-hydroxy-2,5-dioxo-4-ureido-imidazolidine-4-carboxylate CAS Name: aluminum 4-(carbamoylamino)-3-chloro-1-hydroxy-2,5-dioxo-4-imidazolidinecarboxylate IUPAC Name: aluminum 4-(carbamoylamino)-3-chloro-1-hydroxy-2,5-dioxoimidazolidine-4-carboxylate Traditional Name: aluminum 3-chloro-1-hydroxy-2,5-diketo-4-ureido-imidazolidine-4-carboxylate Formula: C15H12AlCl3N12O18 MolecularWeight: 781.665918

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Descriptors Computed from Structure

Canonical SMILES:

C1(=O)C(N(C(=O)N1O)Cl)(C(=O)[O-])NC(=O)N.C1(=O)C(N(C(=O)N1O)Cl)(C(=O)[O-])NC(=O)N.C1(=O)C(N(C(=O)N1O)Cl)(C(=O)[O-])NC(=O)N.[Al+3]

Isomeric SMILES

C1(=O)C(N(C(=O)N1O)Cl)(C(=O)[O-])NC(=O)N.C1(=O)C(N(C(=O)N1O)Cl)(C(=O)[O-])NC(=O)N.C1(=O)C(N(C(=O)N1O)Cl)(C(=O)[O-])NC(=O)N.[Al+3]

InChI

InChI=1S/3C5H5ClN4O6.Al/c3*6-10-4(15)9(16)1(11)5(10,2(12)13)8-3(7)14;/h3*16H,(H,12,13)(H3,7,8,14);/q;;;+3/p-3