bis[1-[bis(phosphonomethyl)amino]ethylamino]methylphosphonic acid

Systemtic Name: bis[1-[bis(phosphonomethyl)amino]ethylamino]methylphosphonic acid Openeye Name: bis[1-[bis(phosphonomethyl)amino]ethylamino]methylphosphonic acid CAS Name: bis[1-[bis(phosphonomethyl)amino]ethylamino]methylphosphonic acid IUPAC Name: bis[1-[bis(phosphonomethyl)amino]ethylamino]methylphosphonic acid Traditional Name: bis[1-[bis(phosphonomethyl)amino]ethylamino]methylphosphonic acid Formula: C9H29N4O15P5 MolecularWeight: 588.213165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H29N4O15P5/c1-7(12(3-29(14,15)16)4-30(17,18)19)10-9(33(26,27)28)11-8(2)13(5-31(20,21)22)6-32(23,24)25/h7-11H,3-6H2,1-2H3,(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)