gallium 5-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-oxidanyl-benzoic acid

Systemtic Name: gallium 5-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-oxidanyl-benzoic acid Openeye Name: gallium 5-[(2Z)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-hydroxy-benzoic acid CAS Name: gallium 5-[(2Z)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-hydroxybenzoic acid IUPAC Name: gallium 5-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-hydroxybenzoic acid Traditional Name: gallium 5-[(N'Z)-N'-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-hydroxy-benzoic acid Formula: C42H30GaN6O18+3 MolecularWeight: 976.44

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)O.C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)O.C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)O.[Ga+3]

Isomeric SMILES

C1=CC(=C(C=C1N/N=C/2\C=C(C(=O)C=C2)C(=O)O)C(=O)O)O.C1=CC(=C(C=C1N/N=C/2\C=C(C(=O)C=C2)C(=O)O)C(=O)O)O.C1=CC(=C(C=C1N/N=C/2\C=C(C(=O)C=C2)C(=O)O)C(=O)O)O.[Ga+3]

InChI

InChI=1S/3C14H10N2O6.Ga/c3*17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;/h3*1-6,15,17H,(H,19,20)(H,21,22);/q;;;+3/b3*16-8-;