[5-[(phenylmethyl)amino]-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-[(phenylmethyl)amino]-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(benzylamino)-1-phosphono-pentyl]phosphonic acid CAS Name: [5-[(phenylmethyl)amino]-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(benzylamino)-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(benzylamino)-1-phosphono-pentyl]phosphonic acid Formula: C12H21NO6P2 MolecularWeight: 337.245762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO6P2/c14-20(15,16)12(21(17,18)19)8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H2,14,15,16)(H2,17,18,19)