3-[2,5-bis(fluoranyl)-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2,5-bis(fluoranyl)-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)-2,5-difluoro-phenyl]propyl]phosphonic acid CAS Name: 3-[2,5-difluoro-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2,5-difluoro-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)-2,5-difluoro-phenyl]propyl]phosphonic acid Formula: C16H26F2O6P2 MolecularWeight: 414.318368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1F)C(CC)(CC)P(=O)(O)O)F)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1F)C(CC)(CC)P(=O)(O)O)F)P(=O)(O)O

InChI

InChI=1S/C16H26F2O6P2/c1-5-15(6-2,25(19,20)21)11-9-14(18)12(10-13(11)17)16(7-3,8-4)26(22,23)24/h9-10H,5-8H2,1-4H3,(H2,19,20,21)(H2,22,23,24)