[1-oxidanyl-2-(3-phenoxypropylamino)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-(3-phenoxypropylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphono-butyl]phosphonic acid Formula: C13H23NO8P2 MolecularWeight: 383.271142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(O)(P(=O)(O)O)P(=O)(O)O)NCCCOC1=CC=CC=C1

Isomeric SMILES

CCC(C(O)(P(=O)(O)O)P(=O)(O)O)NCCCOC1=CC=CC=C1

InChI

InChI=1S/C13H23NO8P2/c1-2-12(13(15,23(16,17)18)24(19,20)21)14-9-6-10-22-11-7-4-3-5-8-11/h3-5,7-8,12,14-15H,2,6,9-10H2,1H3,(H2,16,17,18)(H2,19,20,21)