[5-(phenylmethoxycarbonylamino)-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(phenylmethoxycarbonylamino)-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(benzyloxycarbonylamino)-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(phenylmethoxycarbonylamino)-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(phenylmethoxycarbonylamino)-1-phosphonopentyl]phosphonic acid Traditional Name: [5-(benzyloxycarbonylamino)-1-phosphono-pentyl]phosphonic acid Formula: C13H21NO8P2 MolecularWeight: 381.255262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H21NO8P2/c15-13(22-10-11-6-2-1-3-7-11)14-9-5-4-8-12(23(16,17)18)24(19,20)21/h1-3,6-7,12H,4-5,8-10H2,(H,14,15)(H2,16,17,18)(H2,19,20,21)