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

Systemtic Name: [1-oxidanyl-2-(3-phenoxypropylamino)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-(3-phenoxypropylamino)-1-phosphono-propyl]phosphonic acid Formula: C12H21NO8P2 MolecularWeight: 369.244562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO8P2/c1-10(12(14,22(15,16)17)23(18,19)20)13-8-5-9-21-11-6-3-2-4-7-11/h2-4,6-7,10,13-14H,5,8-9H2,1H3,(H2,15,16,17)(H2,18,19,20)