[2-(3-bromophenyl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-bromophenyl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-bromophenyl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-bromophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-bromophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-bromophenyl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C8H11BrO7P2 MolecularWeight: 361.020262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H11BrO7P2/c9-7-3-1-2-6(4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)