[2-[3-(4-chloranylphenoxy)propyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[3-(4-chloranylphenoxy)propyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [2-[3-(4-chlorophenoxy)propyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [2-[3-(4-chlorophenoxy)propyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [2-[3-(4-chlorophenoxy)propyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [2-[3-(4-chlorophenoxy)propyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H22ClNO8P2 MolecularWeight: 417.716202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCOC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCOC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H22ClNO8P2/c1-10(13(16,24(17,18)19)25(20,21)22)15(2)8-3-9-23-12-6-4-11(14)5-7-12/h4-7,10,16H,3,8-9H2,1-2H3,(H2,17,18,19)(H2,20,21,22)