[1-(hexylamino)-2-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-(hexylamino)-2-phosphono-ethyl]phosphonic acid Openeye Name: [1-(hexylamino)-2-phosphono-ethyl]phosphonic acid CAS Name: [1-(hexylamino)-2-phosphonoethyl]phosphonic acid IUPAC Name: [1-(hexylamino)-2-phosphonoethyl]phosphonic acid Traditional Name: [1-(hexylamino)-2-phosphono-ethyl]phosphonic acid Formula: C8H21NO6P2 MolecularWeight: 289.202962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCNC(CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-8(17(13,14)15)7-16(10,11)12/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)