[1-azanyl-3-(3-azanyl-3,3-diphosphono-propoxy)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-azanyl-3-(3-azanyl-3,3-diphosphono-propoxy)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-amino-3-(3-amino-3,3-diphosphono-propoxy)-1-phosphono-propyl]phosphonic acid CAS Name: [1-amino-3-(3-amino-3,3-diphosphonopropoxy)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-amino-3-(3-amino-3,3-diphosphonopropoxy)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-amino-3-(3-amino-3,3-diphosphono-propoxy)-1-phosphono-propyl]phosphonic acid Formula: C6H20N2O13P4 MolecularWeight: 452.123644

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Descriptors Computed from Structure

Canonical SMILES:

C(COCCC(N)(P(=O)(O)O)P(=O)(O)O)C(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(COCCC(N)(P(=O)(O)O)P(=O)(O)O)C(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H20N2O13P4/c7-5(22(9,10)11,23(12,13)14)1-3-21-4-2-6(8,24(15,16)17)25(18,19)20/h1-4,7-8H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)