sodium; 9-(7-phosphanylheptyl)heptadecan-9-ol; tetramethylazanium; hexanitrite

Systemtic Name: sodium; 9-(7-phosphanylheptyl)heptadecan-9-ol; tetramethylazanium; hexanitrite Openeye Name: sodium; 9-(7-phosphanylheptyl)heptadecan-9-ol; tetramethylammonium; hexanitrite CAS Name: sodium; 9-(7-phosphinoheptyl)-9-heptadecanol; tetramethylammonium; hexanitrite IUPAC Name: sodium; 9-(7-phosphanylheptyl)heptadecan-9-ol; tetramethylazanium; hexanitrite Traditional Name: sodium; 9-(7-phosphinoheptyl)heptadecan-9-ol; tetramethylammonium; hexanitrite Formula: C56H126N8NaO14P2-3 MolecularWeight: 1220.582132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCCCCCCP)O.CCCCCCCCC(CCCCCCCC)(CCCCCCCP)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-].[Na+]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCCCCCCP)O.CCCCCCCCC(CCCCCCCC)(CCCCCCCP)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-].[Na+]

InChI

InChI=1S/2C24H51OP.2C4H12N.6HNO2.Na/c2*1-3-5-7-9-12-16-20-24(25,21-17-13-10-8-6-4-2)22-18-14-11-15-19-23-26;2*1-5(2,3)4;6*2-1-3;/h2*25H,3-23,26H2,1-2H3;2*1-4H3;6*(H,2,3);/q;;2*+1;;;;;;;+1/p-6