(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanamine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanamine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; (5-methoxy-2,3-dihydrobenzofuran-2-yl)methanamine CAS Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; (5-methoxy-2,3-dihydrobenzofuran-2-yl)methanamine IUPAC Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanamine Traditional Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; (5-methoxycoumaran-2-yl)methylamine Formula: C13H23NO9P2 MolecularWeight: 399.270542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(O)(P(=O)(O)O)P(=O)(O)O.COC1=CC2=C(C=C1)OC(C2)CN

Isomeric SMILES

CCC(O)(P(=O)(O)O)P(=O)(O)O.COC1=CC2=C(C=C1)OC(C2)CN

InChI

InChI=1S/C10H13NO2.C3H10O7P2/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10;1-2-3(4,11(5,6)7)12(8,9)10/h2-4,9H,5-6,11H2,1H3;4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)