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

Systemtic Name: [2-[methyl-(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[methyl-(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[methyl-(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[methyl-(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[methyl-(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)amino]-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)N(C)C(C)C(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO9P2/c1-8-4-5-10-11(6-8)22-7-12(23-10)14(3)9(2)13(15,24(16,17)18)25(19,20)21/h4-6,9,12,15H,7H2,1-3H3,(H2,16,17,18)(H2,19,20,21)