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

Systemtic Name: [3-[(phenylmethyl)amino]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(benzylamino)-1-phosphono-propyl]phosphonic acid CAS Name: [3-[(phenylmethyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(benzylamino)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(benzylamino)-1-phosphono-propyl]phosphonic acid Formula: C10H17NO6P2 MolecularWeight: 309.192602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO6P2/c12-18(13,14)10(19(15,16)17)6-7-11-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2,12,13,14)(H2,15,16,17)