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

Systemtic Name: [1-(2-azanylethylamino)-4-phosphono-butyl]phosphonic acid Openeye Name: [1-(2-aminoethylamino)-4-phosphono-butyl]phosphonic acid CAS Name: [1-(2-aminoethylamino)-4-phosphonobutyl]phosphonic acid IUPAC Name: [1-(2-aminoethylamino)-4-phosphonobutyl]phosphonic acid Traditional Name: [1-(2-aminoethylamino)-4-phosphono-butyl]phosphonic acid Formula: C6H18N2O6P2 MolecularWeight: 276.164442

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(NCCN)P(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C(CC(NCCN)P(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C6H18N2O6P2/c7-3-4-8-6(16(12,13)14)2-1-5-15(9,10)11/h6,8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)