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

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

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CC1COC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CC1COC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C13H20ClNO9P2/c1-8(13(16,25(17,18)19)26(20,21)22)15(2)6-10-7-23-12-5-9(14)3-4-11(12)24-10/h3-5,8,10,16H,6-7H2,1-2H3,(H2,17,18,19)(H2,20,21,22)