6-azaniumylhexylazanium; 2-ethylhexyl phosphate

Systemtic Name: 6-azaniumylhexylazanium; 2-ethylhexyl phosphate Openeye Name: 6-azaniumylhexylammonium; 2-ethylhexyl phosphate CAS Name: 6-ammoniohexylammonium; 2-ethylhexyl phosphate IUPAC Name: 6-azaniumylhexylazanium; 2-ethylhexyl phosphate Traditional Name: 6-ammoniohexylammonium; 2-ethylhexyl phosphate Formula: C22H52N2O8P2-2 MolecularWeight: 534.604402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COP(=O)([O-])[O-].CCCCC(CC)COP(=O)([O-])[O-].C(CCC[NH3+])CC[NH3+]

Isomeric SMILES

CCCCC(CC)COP(=O)([O-])[O-].CCCCC(CC)COP(=O)([O-])[O-].C(CCC[NH3+])CC[NH3+]

InChI

InChI=1S/2C8H19O4P.C6H16N2/c2*1-3-5-6-8(4-2)7-12-13(9,10)11;7-5-3-1-2-4-6-8/h2*8H,3-7H2,1-2H3,(H2,9,10,11);1-8H2/p-2