disodium; dinitrooxygallanyl nitrate; 8-[(2-oxidanidylphenyl)carbonylamino]octanoate

Systemtic Name: disodium; dinitrooxygallanyl nitrate; 8-[(2-oxidanidylphenyl)carbonylamino]octanoate Openeye Name: disodium; dinitrooxygallanyl nitrate; 8-[(2-oxidobenzoyl)amino]octanoate CAS Name: disodium; nitric acid dinitrooxygallanyl ester; 8-[[(2-oxidophenyl)-oxomethyl]amino]octanoate IUPAC Name: disodium; dinitrooxygallanyl nitrate; 8-[(2-oxidobenzoyl)amino]octanoate Traditional Name: disodium; nitric acid dinitrooxygallanyl ester; 8-[(2-oxidobenzoyl)amino]caprylate Formula: C15H19GaN4Na2O13 MolecularWeight: 579.0329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4.Ga.3NO3.2Na/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);;;;;;/q;+3;3*-1;2*+1/p-2