3-(4-methoxyphenoxy)propan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: 3-(4-methoxyphenoxy)propan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; 3-(4-methoxyphenoxy)propan-1-amine CAS Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; 3-(4-methoxyphenoxy)-1-propanamine IUPAC Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; 3-(4-methoxyphenoxy)propan-1-amine Traditional Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; 3-(4-methoxyphenoxy)propylamine Formula: C13H25NO9P2 MolecularWeight: 401.286422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)(P(=O)(O)O)P(=O)(O)O.COC1=CC=C(C=C1)OCCCN

Isomeric SMILES

CCC(O)(P(=O)(O)O)P(=O)(O)O.COC1=CC=C(C=C1)OCCCN

InChI

InChI=1S/C10H15NO2.C3H10O7P2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11;1-2-3(4,11(5,6)7)12(8,9)10/h3-6H,2,7-8,11H2,1H3;4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)