2-hydroxyethyl-dimethyl-(2-oxidanyldodecyl)azanium; oxidanyl-(1-oxidanyl-1-phosphonato-ethyl)phosphinate

Systemtic Name: 2-hydroxyethyl-dimethyl-(2-oxidanyldodecyl)azanium; oxidanyl-(1-oxidanyl-1-phosphonato-ethyl)phosphinate Openeye Name: 2-hydroxydodecyl-(2-hydroxyethyl)-dimethyl-ammonium; hydroxy-(1-hydroxy-1-phosphonato-ethyl)phosphinate CAS Name: 2-hydroxydodecyl-(2-hydroxyethyl)-dimethylammonium; hydroxy-(1-hydroxy-1-phosphonatoethyl)phosphinate IUPAC Name: 2-hydroxydodecyl-(2-hydroxyethyl)-dimethylazanium; hydroxy-(1-hydroxy-1-phosphonatoethyl)phosphinate Traditional Name: 2-hydroxydodecyl-(2-hydroxyethyl)-dimethyl-ammonium; hydroxy-(1-hydroxy-1-phosphonato-ethyl)phosphinate Formula: C50H113N3O13P2 MolecularWeight: 1026.392042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](C)(C)CCO)O.CCCCCCCCCCC(C[N+](C)(C)CCO)O.CCCCCCCCCCC(C[N+](C)(C)CCO)O.CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCC(C[N+](C)(C)CCO)O.CCCCCCCCCCC(C[N+](C)(C)CCO)O.CCCCCCCCCCC(C[N+](C)(C)CCO)O.CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-]

InChI

InChI=1S/3C16H36NO2.C2H8O7P2/c3*1-4-5-6-7-8-9-10-11-12-16(19)15-17(2,3)13-14-18;1-2(3,10(4,5)6)11(7,8)9/h3*16,18-19H,4-15H2,1-3H3;3H,1H3,(H2,4,5,6)(H2,7,8,9)/q3*+1;/p-3