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

Systemtic Name: [1-(2-azanylethylamino)-4,4,4-triphosphono-butyl]phosphonic acid Openeye Name: [1-(2-aminoethylamino)-4,4,4-triphosphono-butyl]phosphonic acid CAS Name: [1-(2-aminoethylamino)-4,4,4-triphosphonobutyl]phosphonic acid IUPAC Name: [1-(2-aminoethylamino)-4,4,4-triphosphonobutyl]phosphonic acid Traditional Name: [1-(2-aminoethylamino)-4,4,4-triphosphono-butyl]phosphonic acid Formula: C6H20N2O12P4 MolecularWeight: 436.124244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H20N2O12P4/c7-3-4-8-5(21(9,10)11)1-2-6(22(12,13)14,23(15,16)17)24(18,19)20/h5,8H,1-4,7H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)