[3-[methyl(2-phenoxyethyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; sodium

Systemtic Name: [3-[methyl(2-phenoxyethyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; sodium Openeye Name: [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]-1-phosphono-propyl]phosphonic acid; sodium CAS Name: [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]-1-phosphonopropyl]phosphonic acid; sodium IUPAC Name: [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]-1-phosphonopropyl]phosphonic acid; sodium Traditional Name: [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]-1-phosphono-propyl]phosphonic acid; sodium Formula: C12H21NNaO8P2 MolecularWeight: 392.234332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCOC1=CC=CC=C1.[Na]

Isomeric SMILES

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCOC1=CC=CC=C1.[Na]

InChI

InChI=1S/C12H21NO8P2.Na/c1-13(9-10-21-11-5-3-2-4-6-11)8-7-12(14,22(15,16)17)23(18,19)20;/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20);