diphosphono hydrogen phosphate; 2-ethylhexan-1-ol; sodium

Systemtic Name: diphosphono hydrogen phosphate; 2-ethylhexan-1-ol; sodium Openeye Name: diphosphono hydrogen phosphate; 2-ethylhexan-1-ol; sodium CAS Name: diphosphono hydrogen phosphate; 2-ethyl-1-hexanol; sodium IUPAC Name: diphosphono hydrogen phosphate; 2-ethylhexan-1-ol; sodium Traditional Name: diphosphono hydrogen phosphate; 2-ethylhexan-1-ol; sodium Formula: C8H23NaO11P3 MolecularWeight: 411.172673

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CO.OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[Na]

Isomeric SMILES

CCCCC(CC)CO.OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[Na]

InChI

InChI=1S/C8H18O.Na.H5O10P3/c1-3-5-6-8(4-2)7-9;;1-11(2,3)9-13(7,8)10-12(4,5)6/h8-9H,3-7H2,1-2H3;;(H,7,8)(H2,1,2,3)(H2,4,5,6)