barium(2+); 7-(5-phosphanylpentyl)tridecan-7-ol; tetramethylphosphanium; hexanitrite

Systemtic Name: barium(2+); 7-(5-phosphanylpentyl)tridecan-7-ol; tetramethylphosphanium; hexanitrite Openeye Name: barium(2+); 7-(5-phosphanylpentyl)tridecan-7-ol; tetramethylphosphonium; hexanitrite CAS Name: barium(2+); 7-(5-phosphinopentyl)-7-tridecanol; tetramethylphosphonium; hexanitrite IUPAC Name: barium(2+); 7-(5-phosphanylpentyl)tridecan-7-ol; tetramethylphosphanium; hexanitrite Traditional Name: barium(2+); 7-(5-phosphinopentyl)tridecan-7-ol; tetramethylphosphonium; hexanitrite Formula: C26H63BaN6O13P3-2 MolecularWeight: 898.059103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(CCCCCP)O.C[P+](C)(C)C.C[P+](C)(C)C.N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCC(CCCCCC)(CCCCCP)O.C[P+](C)(C)C.C[P+](C)(C)C.N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Ba+2]

InChI

InChI=1S/C18H39OP.2C4H12P.Ba.6HNO2/c1-3-5-7-10-14-18(19,15-11-8-6-4-2)16-12-9-13-17-20;2*1-5(2,3)4;;6*2-1-3/h19H,3-17,20H2,1-2H3;2*1-4H3;;6*(H,2,3)/q;2*+1;+2;;;;;;/p-6