[2-[bis(3-phosphonopropyl)amino]-1,3-diphosphono-propan-2-yl]phosphonic acid

Systemtic Name: [2-[bis(3-phosphonopropyl)amino]-1,3-diphosphono-propan-2-yl]phosphonic acid Openeye Name: [2-[bis(3-phosphonopropyl)amino]-2,3-diphosphono-propyl]phosphonic acid CAS Name: [2-[bis(3-phosphonopropyl)amino]-1,3-diphosphonopropan-2-yl]phosphonic acid IUPAC Name: [2-[bis(3-phosphonopropyl)amino]-1,3-diphosphonopropan-2-yl]phosphonic acid Traditional Name: [2-[bis(3-phosphonopropyl)amino]-2,3-diphosphono-propyl]phosphonic acid Formula: C9H26NO15P5 MolecularWeight: 543.169245

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CCCP(=O)(O)O)C(CP(=O)(O)O)(CP(=O)(O)O)P(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C(CN(CCCP(=O)(O)O)C(CP(=O)(O)O)(CP(=O)(O)O)P(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C9H26NO15P5/c11-26(12,13)5-1-3-10(4-2-6-27(14,15)16)9(30(23,24)25,7-28(17,18)19)8-29(20,21)22/h1-8H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)