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

Systemtic Name: [3-[methyl(phenethyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; sodium Openeye Name: [1-hydroxy-3-[methyl(phenethyl)amino]-1-phosphono-propyl]phosphonic acid; sodium CAS Name: [1-hydroxy-3-[methyl(phenethyl)amino]-1-phosphonopropyl]phosphonic acid; sodium IUPAC Name: [1-hydroxy-3-[methyl(phenethyl)amino]-1-phosphonopropyl]phosphonic acid; sodium Traditional Name: [1-hydroxy-3-[methyl(phenethyl)amino]-1-phosphono-propyl]phosphonic acid; sodium Formula: C12H21NNaO7P2 MolecularWeight: 376.234932

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O.[Na]

Isomeric SMILES

CN(CCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O.[Na]

InChI

InChI=1S/C12H21NO7P2.Na/c1-13(9-7-11-5-3-2-4-6-11)10-8-12(14,21(15,16)17)22(18,19)20;/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20);