[2-[3-(dimethylaminomethyl)phenyl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(dimethylaminomethyl)phenyl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(dimethylaminomethyl)phenyl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(dimethylaminomethyl)phenyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(dimethylaminomethyl)phenyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(dimethylaminomethyl)phenyl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C11H19NO7P2 MolecularWeight: 339.218582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC(=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)CC1=CC=CC(=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H19NO7P2/c1-12(2)8-10-5-3-4-9(6-10)7-11(13,20(14,15)16)21(17,18)19/h3-6,13H,7-8H2,1-2H3,(H2,14,15,16)(H2,17,18,19)