[5-(4-chlorophenyl)-2-methyl-2-(methylamino)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(4-chlorophenyl)-2-methyl-2-(methylamino)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(4-chlorophenyl)-1-hydroxy-2-methyl-2-(methylamino)-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(4-chlorophenyl)-1-hydroxy-2-methyl-2-(methylamino)-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(4-chlorophenyl)-1-hydroxy-2-methyl-2-(methylamino)-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(4-chlorophenyl)-1-hydroxy-2-methyl-2-(methylamino)-1-phosphono-pentyl]phosphonic acid Formula: C13H22ClNO7P2 MolecularWeight: 401.716802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=C(C=C1)Cl)(C(O)(P(=O)(O)O)P(=O)(O)O)NC

Isomeric SMILES

CC(CCCC1=CC=C(C=C1)Cl)(C(O)(P(=O)(O)O)P(=O)(O)O)NC

InChI

InChI=1S/C13H22ClNO7P2/c1-12(15-2,13(16,23(17,18)19)24(20,21)22)9-3-4-10-5-7-11(14)8-6-10/h5-8,15-16H,3-4,9H2,1-2H3,(H2,17,18,19)(H2,20,21,22)