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

Systemtic Name: (3-azanyl-2-oxidanyl-5-phosphono-phenyl)phosphonic acid; [3-(aziridin-1-yl)-2-oxidanyl-5-phosphono-phenyl]phosphonic acid Openeye Name: (3-amino-2-hydroxy-5-phosphono-phenyl)phosphonic acid; [3-(aziridin-1-yl)-2-hydroxy-5-phosphono-phenyl]phosphonic acid CAS Name: (3-amino-2-hydroxy-5-phosphonophenyl)phosphonic acid; [3-(1-aziridinyl)-2-hydroxy-5-phosphonophenyl]phosphonic acid IUPAC Name: (3-amino-2-hydroxy-5-phosphonophenyl)phosphonic acid; [3-(aziridin-1-yl)-2-hydroxy-5-phosphonophenyl]phosphonic acid Traditional Name: (3-amino-2-hydroxy-5-phosphono-phenyl)phosphonic acid; (3-ethylenimino-2-hydroxy-5-phosphono-phenyl)phosphonic acid Formula: C14H20N2O14P4 MolecularWeight: 564.208644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=CC(=CC(=C2O)P(=O)(O)O)P(=O)(O)O.C1=C(C=C(C(=C1P(=O)(O)O)O)N)P(=O)(O)O

Isomeric SMILES

C1CN1C2=CC(=CC(=C2O)P(=O)(O)O)P(=O)(O)O.C1=C(C=C(C(=C1P(=O)(O)O)O)N)P(=O)(O)O

InChI

InChI=1S/C8H11NO7P2.C6H9NO7P2/c10-8-6(9-1-2-9)3-5(17(11,12)13)4-7(8)18(14,15)16;7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h3-4,10H,1-2H2,(H2,11,12,13)(H2,14,15,16);1-2,8H,7H2,(H2,9,10,11)(H2,12,13,14)