disodium; gallium; nitric acid; 8-[(2-oxidanidylphenyl)carbonylamino]octanoate

Systemtic Name: disodium; gallium; nitric acid; 8-[(2-oxidanidylphenyl)carbonylamino]octanoate Openeye Name: disodium; gallium; nitric acid; 8-[(2-oxidobenzoyl)amino]octanoate CAS Name: disodium; gallium; nitric acid; 8-[[(2-oxidophenyl)-oxomethyl]amino]octanoate IUPAC Name: disodium; gallium; nitric acid; 8-[(2-oxidobenzoyl)amino]octanoate Traditional Name: disodium; gallium; nitric acid; 8-[(2-oxidobenzoyl)amino]caprylate Formula: C15H22GaN4Na2O13 MolecularWeight: 582.05672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCCCCC(=O)[O-])[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[Na+].[Na+].[Ga]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCCCC(=O)[O-])[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[Na+].[Na+].[Ga]

InChI

InChI=1S/C15H21NO4.Ga.3HNO3.2Na/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;;3*2-1(3)4;;/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);;3*(H,2,3,4);;/q;;;;;2*+1/p-2