pentabismuth; calcium; 6-acetamidohexanoate; nitric acid; oxygen(2-); pentahydroxide

Systemtic Name: pentabismuth; calcium; 6-acetamidohexanoate; nitric acid; oxygen(2-); pentahydroxide Openeye Name: pentabismuth; calcium; 6-acetamidohexanoate; nitric acid; oxygen(2-); pentahydroxide CAS Name: pentabismuth; calcium; 6-acetamidohexanoate; nitric acid; oxygen(2-); pentahydroxide IUPAC Name: pentabismuth; calcium; 6-acetamidohexanoate; nitric acid; oxygen(2-); pentahydroxide Traditional Name: pentabismuth; calcium; 6-acetamidohexanoate; nitric acid; oxygen(2-); pentahydroxide Formula: C16H37Bi5CaN6O28 MolecularWeight: 1846.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCC(=O)[O-].CC(=O)NCCCCCC(=O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[Ca+2].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3]

Isomeric SMILES

CC(=O)NCCCCCC(=O)[O-].CC(=O)NCCCCCC(=O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[Ca+2].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3]

InChI

InChI=1S/2C8H15NO3.5Bi.Ca.4HNO3.5H2O.5O/c2*1-7(10)9-6-4-2-3-5-8(11)12;;;;;;;4*2-1(3)4;;;;;;;;;;/h2*2-6H2,1H3,(H,9,10)(H,11,12);;;;;;;4*(H,2,3,4);5*1H2;;;;;/q;;5*+3;+2;;;;;;;;;;5*-2/p-7