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

Systemtic Name: [3-[3-(4-chlorophenyl)propyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[3-(4-chlorophenyl)propyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[3-(4-chlorophenyl)propyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[3-(4-chlorophenyl)propyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[3-(4-chlorophenyl)propyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H22ClNO7P2 MolecularWeight: 401.716802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=C(C=C1)Cl)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCC1=CC=C(C=C1)Cl)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H22ClNO7P2/c1-15(9-2-3-11-4-6-12(14)7-5-11)10-8-13(16,23(17,18)19)24(20,21)22/h4-7,16H,2-3,8-10H2,1H3,(H2,17,18,19)(H2,20,21,22)