[3-[methyl-[2-(2-oxidanylphenoxy)ethyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl-[2-(2-oxidanylphenoxy)ethyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[2-(2-hydroxyphenoxy)ethyl-methyl-amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[2-(2-hydroxyphenoxy)ethyl-methylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[2-(2-hydroxyphenoxy)ethyl-methylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[2-(2-hydroxyphenoxy)ethyl-methyl-amino]-1-phosphono-propyl]phosphonic acid Formula: C12H21NO9P2 MolecularWeight: 385.243962

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCOC1=CC=CC=C1O

Isomeric SMILES

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCOC1=CC=CC=C1O

InChI

InChI=1S/C12H21NO9P2/c1-13(8-9-22-11-5-3-2-4-10(11)14)7-6-12(15,23(16,17)18)24(19,20)21/h2-5,14-15H,6-9H2,1H3,(H2,16,17,18)(H2,19,20,21)