[(4-phenylazanylbutylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(4-phenylazanylbutylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(4-anilinobutylamino)-phosphono-methyl]phosphonic acid CAS Name: [(4-anilinobutylamino)-phosphonomethyl]phosphonic acid IUPAC Name: [(4-anilinobutylamino)-phosphonomethyl]phosphonic acid Traditional Name: [(4-anilinobutylamino)-phosphono-methyl]phosphonic acid Formula: C11H20N2O6P2 MolecularWeight: 338.233822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCCCNC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NCCCCNC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H20N2O6P2/c14-20(15,16)11(21(17,18)19)13-9-5-4-8-12-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2,(H2,14,15,16)(H2,17,18,19)