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

Systemtic Name: [3-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[2-(4-chlorophenoxy)ethyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[2-(4-chlorophenoxy)ethyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[2-(4-chlorophenoxy)ethyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[2-(4-chlorophenoxy)ethyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C12H20ClNO8P2 MolecularWeight: 403.689622

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCOC1=CC=C(C=C1)Cl

Isomeric SMILES

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCOC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H20ClNO8P2/c1-14(8-9-22-11-4-2-10(13)3-5-11)7-6-12(15,23(16,17)18)24(19,20)21/h2-5,15H,6-9H2,1H3,(H2,16,17,18)(H2,19,20,21)