[1-(2-azanylpropylamino)-4-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(2-azanylpropylamino)-4-phosphono-butyl]phosphonic acid Openeye Name: [1-(2-aminopropylamino)-4-phosphono-butyl]phosphonic acid CAS Name: [1-(2-aminopropylamino)-4-phosphonobutyl]phosphonic acid IUPAC Name: [1-(2-aminopropylamino)-4-phosphonobutyl]phosphonic acid Traditional Name: [1-(2-aminopropylamino)-4-phosphono-butyl]phosphonic acid Formula: C7H20N2O6P2 MolecularWeight: 290.191022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(CCCP(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

CC(CNC(CCCP(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C7H20N2O6P2/c1-6(8)5-9-7(17(13,14)15)3-2-4-16(10,11)12/h6-7,9H,2-5,8H2,1H3,(H2,10,11,12)(H2,13,14,15)