[1-(4-azanylbutylamino)-4-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(4-azanylbutylamino)-4-phosphono-butyl]phosphonic acid Openeye Name: [1-(4-aminobutylamino)-4-phosphono-butyl]phosphonic acid CAS Name: [1-(4-aminobutylamino)-4-phosphonobutyl]phosphonic acid IUPAC Name: [1-(4-aminobutylamino)-4-phosphonobutyl]phosphonic acid Traditional Name: [1-(4-aminobutylamino)-4-phosphono-butyl]phosphonic acid Formula: C8H22N2O6P2 MolecularWeight: 304.217602

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Descriptors Computed from Structure

Canonical SMILES:

C(CCNC(CCCP(=O)(O)O)P(=O)(O)O)CN

Isomeric SMILES

C(CCNC(CCCP(=O)(O)O)P(=O)(O)O)CN

InChI

InChI=1S/C8H22N2O6P2/c9-5-1-2-6-10-8(18(14,15)16)4-3-7-17(11,12)13/h8,10H,1-7,9H2,(H2,11,12,13)(H2,14,15,16)