[3-(1-hydroxyethyl)-2-oxidanyl-decan-3-yl]azanium phosphate

Systemtic Name: [3-(1-hydroxyethyl)-2-oxidanyl-decan-3-yl]azanium phosphate Openeye Name: 1,1-bis(1-hydroxyethyl)octylammonium phosphate CAS Name: [2-hydroxy-3-(1-hydroxyethyl)decan-3-yl]ammonium phosphate IUPAC Name: [2-hydroxy-3-(1-hydroxyethyl)decan-3-yl]azanium phosphate Traditional Name: 1,1-bis(1-hydroxyethyl)octylammonium phosphate Formula: C12H28NO6P-2 MolecularWeight: 313.327581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C)O)(C(C)O)[NH3+].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCC(C(C)O)(C(C)O)[NH3+].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C12H27NO2.H3O4P/c1-4-5-6-7-8-9-12(13,10(2)14)11(3)15;1-5(2,3)4/h10-11,14-15H,4-9,13H2,1-3H3;(H3,1,2,3,4)/p-2