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

Systemtic Name: barium(2+); 7-(5-phosphanylpentyl)tridecan-7-ol; tetramethylazanium; hexanitrite Openeye Name: barium(2+); 7-(5-phosphanylpentyl)tridecan-7-ol; tetramethylammonium; hexanitrite CAS Name: barium(2+); 7-(5-phosphinopentyl)-7-tridecanol; tetramethylammonium; hexanitrite IUPAC Name: barium(2+); 7-(5-phosphanylpentyl)tridecan-7-ol; tetramethylazanium; hexanitrite Traditional Name: barium(2+); 7-(5-phosphinopentyl)tridecan-7-ol; tetramethylammonium; hexanitrite Formula: C44H102BaN8O14P2-2 MolecularWeight: 1166.600402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(CCCCCP)O.CCCCCCC(CCCCCC)(CCCCCP)O.C[N+](C)(C)C.C[N+](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.CCCCCCC(CCCCCC)(CCCCCP)O.C[N+](C)(C)C.C[N+](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/2C18H39OP.2C4H12N.Ba.6HNO2/c2*1-3-5-7-10-14-18(19,15-11-8-6-4-2)16-12-9-13-17-20;2*1-5(2,3)4;;6*2-1-3/h2*19H,3-17,20H2,1-2H3;2*1-4H3;;6*(H,2,3)/q;;2*+1;+2;;;;;;/p-6