gallium (3E)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: gallium (3E)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: gallium (3E)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: gallium (3E)-3-[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: gallium (3E)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: gallium (3E)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C51H45GaN9O18+3 MolecularWeight: 1141.6755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O.C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O.C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O.[Ga+3]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C\2/C=C(C(=O)C=C2)C(=O)O.C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C\2/C=C(C(=O)C=C2)C(=O)O.C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C\2/C=C(C(=O)C=C2)C(=O)O.[Ga+3]

InChI

InChI=1S/3C17H15N3O6.Ga/c3*21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;/h3*1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26);/q;;;+3/b3*20-12+;