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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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