[1-oxidanyl-3-[2-(phenylmethyl)-1,3-oxazol-4-yl]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-3-[2-(phenylmethyl)-1,3-oxazol-4-yl]-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(2-benzyloxazol-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[2-(phenylmethyl)-4-oxazolyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(2-benzyl-1,3-oxazol-4-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(2-benzyloxazol-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H17NO8P2 MolecularWeight: 377.223502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=CO2)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=CO2)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H17NO8P2/c15-13(23(16,17)18,24(19,20)21)7-6-11-9-22-12(14-11)8-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2,(H2,16,17,18)(H2,19,20,21)