[1-oxidanyl-3-(4-phenylbutylamino)-1-phosphono-propyl]phosphonic acid hydrochloride

Systemtic Name: [1-oxidanyl-3-(4-phenylbutylamino)-1-phosphono-propyl]phosphonic acid hydrochloride Openeye Name: [1-hydroxy-3-(4-phenylbutylamino)-1-phosphono-propyl]phosphonic acid hydrochloride CAS Name: [1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid hydrochloride IUPAC Name: [1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid hydrochloride Traditional Name: [1-hydroxy-3-(4-phenylbutylamino)-1-phosphono-propyl]phosphonic acid hydrochloride Formula: C13H24ClNO7P2 MolecularWeight: 403.732682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNCCC(O)(P(=O)(O)O)P(=O)(O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNCCC(O)(P(=O)(O)O)P(=O)(O)O.Cl

InChI

InChI=1S/C13H23NO7P2.ClH/c15-13(22(16,17)18,23(19,20)21)9-11-14-10-5-4-8-12-6-2-1-3-7-12;/h1-3,6-7,14-15H,4-5,8-11H2,(H2,16,17,18)(H2,19,20,21);1H