[2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]-1-phosphono-propyl]phosphonic acid Formula: C13H21NO9P2 MolecularWeight: 397.254662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CO2)CNC(C)C(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CO2)CNC(C)C(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H21NO9P2/c1-8-3-4-11-12(5-8)22-7-10(23-11)6-14-9(2)13(15,24(16,17)18)25(19,20)21/h3-5,9-10,14-15H,6-7H2,1-2H3,(H2,16,17,18)(H2,19,20,21)