[1-[2-azanylethyl-(phenylmethyl)amino]-3-phosphono-propyl]phosphonic acid

Systemtic Name: [1-[2-azanylethyl-(phenylmethyl)amino]-3-phosphono-propyl]phosphonic acid Openeye Name: [1-[2-aminoethyl(benzyl)amino]-3-phosphono-propyl]phosphonic acid CAS Name: [1-[2-aminoethyl-(phenylmethyl)amino]-3-phosphonopropyl]phosphonic acid IUPAC Name: [1-[2-aminoethyl(benzyl)amino]-3-phosphonopropyl]phosphonic acid Traditional Name: [1-[2-aminoethyl(benzyl)amino]-3-phosphono-propyl]phosphonic acid Formula: C12H22N2O6P2 MolecularWeight: 352.260402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCN)C(CCP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCN)C(CCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H22N2O6P2/c13-7-8-14(10-11-4-2-1-3-5-11)12(22(18,19)20)6-9-21(15,16)17/h1-5,12H,6-10,13H2,(H2,15,16,17)(H2,18,19,20)