[1-[bis(2,3-diphosphonopropyl)amino]-3-phosphono-propan-2-yl]phosphonic acid

Systemtic Name: [1-[bis(2,3-diphosphonopropyl)amino]-3-phosphono-propan-2-yl]phosphonic acid Openeye Name: [1-[[bis(2,3-diphosphonopropyl)amino]methyl]-2-phosphono-ethyl]phosphonic acid CAS Name: [1-[bis(2,3-diphosphonopropyl)amino]-3-phosphonopropan-2-yl]phosphonic acid IUPAC Name: [1-[bis(2,3-diphosphonopropyl)amino]-3-phosphonopropan-2-yl]phosphonic acid Traditional Name: [1-[[bis(2,3-diphosphonopropyl)amino]methyl]-2-phosphono-ethyl]phosphonic acid Formula: C9H27NO18P6 MolecularWeight: 623.149146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H27NO18P6/c11-29(12,13)4-7(32(20,21)22)1-10(2-8(33(23,24)25)5-30(14,15)16)3-9(34(26,27)28)6-31(17,18)19/h7-9H,1-6H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)