[2-(4-chlorophenyl)-1-oxidanyl-1-phosphono-2-pyrrolidin-1-yl-propyl]phosphonic acid

Systemtic Name: [2-(4-chlorophenyl)-1-oxidanyl-1-phosphono-2-pyrrolidin-1-yl-propyl]phosphonic acid Openeye Name: [2-(4-chlorophenyl)-1-hydroxy-1-phosphono-2-pyrrolidin-1-yl-propyl]phosphonic acid CAS Name: [2-(4-chlorophenyl)-1-hydroxy-1-phosphono-2-(1-pyrrolidinyl)propyl]phosphonic acid IUPAC Name: [2-(4-chlorophenyl)-1-hydroxy-1-phosphono-2-pyrrolidin-1-ylpropyl]phosphonic acid Traditional Name: [2-(4-chlorophenyl)-1-hydroxy-1-phosphono-2-pyrrolidino-propyl]phosphonic acid Formula: C13H20ClNO7P2 MolecularWeight: 399.700922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)(C(O)(P(=O)(O)O)P(=O)(O)O)N2CCCC2

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)(C(O)(P(=O)(O)O)P(=O)(O)O)N2CCCC2

InChI

InChI=1S/C13H20ClNO7P2/c1-12(15-8-2-3-9-15,10-4-6-11(14)7-5-10)13(16,23(17,18)19)24(20,21)22/h4-7,16H,2-3,8-9H2,1H3,(H2,17,18,19)(H2,20,21,22)