[1-(hexylamino)-2-phosphono-propan-2-yl]phosphonic acid; methylphosphonic acid

Systemtic Name: [1-(hexylamino)-2-phosphono-propan-2-yl]phosphonic acid; methylphosphonic acid Openeye Name: [2-(hexylamino)-1-methyl-1-phosphono-ethyl]phosphonic acid; methylphosphonic acid CAS Name: [1-(hexylamino)-2-phosphonopropan-2-yl]phosphonic acid; methylphosphonic acid IUPAC Name: [1-(hexylamino)-2-phosphonopropan-2-yl]phosphonic acid; methylphosphonic acid Traditional Name: [2-(hexylamino)-1-methyl-1-phosphono-ethyl]phosphonic acid; methylphosphonic acid Formula: C10H28NO9P3 MolecularWeight: 399.251903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC(C)(P(=O)(O)O)P(=O)(O)O.CP(=O)(O)O

Isomeric SMILES

CCCCCCNCC(C)(P(=O)(O)O)P(=O)(O)O.CP(=O)(O)O

InChI

InChI=1S/C9H23NO6P2.CH5O3P/c1-3-4-5-6-7-10-8-9(2,17(11,12)13)18(14,15)16;1-5(2,3)4/h10H,3-8H2,1-2H3,(H2,11,12,13)(H2,14,15,16);1H3,(H2,2,3,4)