[3-(aziridin-1-yl)-2-oxidanyl-5-phosphono-phenyl]phosphonic acid

Systemtic Name: [3-(aziridin-1-yl)-2-oxidanyl-5-phosphono-phenyl]phosphonic acid Openeye Name: [3-(aziridin-1-yl)-2-hydroxy-5-phosphono-phenyl]phosphonic acid CAS Name: [3-(1-aziridinyl)-2-hydroxy-5-phosphonophenyl]phosphonic acid IUPAC Name: [3-(aziridin-1-yl)-2-hydroxy-5-phosphonophenyl]phosphonic acid Traditional Name: (3-ethylenimino-2-hydroxy-5-phosphono-phenyl)phosphonic acid Formula: C8H11NO7P2 MolecularWeight: 295.122962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=CC(=CC(=C2O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CN1C2=CC(=CC(=C2O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H11NO7P2/c10-8-6(9-1-2-9)3-5(17(11,12)13)4-7(8)18(14,15)16/h3-4,10H,1-2H2,(H2,11,12,13)(H2,14,15,16)