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

Systemtic Name: [3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methyl-amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methyl-amino]-1-phosphono-propyl]phosphonic acid Formula: C14H23NO10P2 MolecularWeight: 427.280642

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC1COC2=C(O1)C=CC(=C2)OC

Isomeric SMILES

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC1COC2=C(O1)C=CC(=C2)OC

InChI

InChI=1S/C14H23NO10P2/c1-15(6-5-14(16,26(17,18)19)27(20,21)22)8-11-9-24-13-7-10(23-2)3-4-12(13)25-11/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H2,17,18,19)(H2,20,21,22)