[3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H21NO9P2 MolecularWeight: 397.254662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC1COC2=CC=CC=C2O1

Isomeric SMILES

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC1COC2=CC=CC=C2O1

InChI

InChI=1S/C13H21NO9P2/c1-14(7-6-13(15,24(16,17)18)25(19,20)21)8-10-9-22-11-4-2-3-5-12(11)23-10/h2-5,10,15H,6-9H2,1H3,(H2,16,17,18)(H2,19,20,21)