hexan-2-ylphosphonic acid; (phosphonomethylamino)methylphosphonic acid

Systemtic Name: hexan-2-ylphosphonic acid; (phosphonomethylamino)methylphosphonic acid Openeye Name: 1-methylpentylphosphonic acid; (phosphonomethylamino)methylphosphonic acid CAS Name: hexan-2-ylphosphonic acid; (phosphonomethylamino)methylphosphonic acid IUPAC Name: hexan-2-ylphosphonic acid; (phosphonomethylamino)methylphosphonic acid Traditional Name: 1-methylpentylphosphonic acid; (phosphonomethylamino)methylphosphonic acid Formula: C8H24NO9P3 MolecularWeight: 371.198743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)P(=O)(O)O.C(NCP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(C)P(=O)(O)O.C(NCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H15O3P.C2H9NO6P2/c1-3-4-5-6(2)10(7,8)9;4-10(5,6)1-3-2-11(7,8)9/h6H,3-5H2,1-2H3,(H2,7,8,9);3H,1-2H2,(H2,4,5,6)(H2,7,8,9)