[1-(aziridin-1-yl)-4-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(aziridin-1-yl)-4-phosphono-butyl]phosphonic acid Openeye Name: [1-(aziridin-1-yl)-4-phosphono-butyl]phosphonic acid CAS Name: [1-(1-aziridinyl)-4-phosphonobutyl]phosphonic acid IUPAC Name: [1-(aziridin-1-yl)-4-phosphonobutyl]phosphonic acid Traditional Name: (1-ethylenimino-4-phosphono-butyl)phosphonic acid Formula: C6H15NO6P2 MolecularWeight: 259.133922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C(CCCP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CN1C(CCCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H15NO6P2/c8-14(9,10)5-1-2-6(7-3-4-7)15(11,12)13/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)