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

Systemtic Name: [3-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H20ClNO9P2 MolecularWeight: 431.699722

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO9P2/c1-15(5-4-13(16,25(17,18)19)26(20,21)22)7-10-8-23-12-6-9(14)2-3-11(12)24-10/h2-3,6,10,16H,4-5,7-8H2,1H3,(H2,17,18,19)(H2,20,21,22)