heptasodium [2-(bis(phosphonatomethyl)amino)ethyl-[2-[2-[2-(bis(phosphonatomethyl)amino)ethyl-(phosphonomethyl)amino]ethyl-(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid
[CAS# 93920-44-6]

Identification

• Name: heptasodium [2-(bis(phosphonatomethyl)amino)ethyl-[2-[2-[2-(bis(phosphonatomethyl)amino)ethyl-(phosphonomethyl)amino]ethyl-(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid
• Synonyms: heptasodium heptahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diyl[(phosphonomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
• Molecular Formula: C₁₅H₃₄N₅Na₇O₂₁P₇
• Molecular Weight: 998.20
• CAS Registry Number: 93920-44-6
• EINECS: 300-131-6
• SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)CN(CP([O-])([O-])=O)CCN(CP(O)(O)=O)CCN(CP([O-])([O-])=O)CCN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CP(O)(O)=O
• InChI: 1S/C15H44N5O21P7.7Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;/q;7*+1/p-10
• InChIKey: RWKUNNAIHWTFFH-UHFFFAOYSA-D