[4-[3,5-bis(fluoranyl)phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[3,5-bis(fluoranyl)phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(3,5-difluorophenyl)-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-(3,5-difluorophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(3,5-difluorophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(3,5-difluorophenyl)-4-keto-1-phosphono-butyl]phosphonic acid Formula: C10H12F2O7P2 MolecularWeight: 344.142408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12F2O7P2/c11-7-3-6(4-8(12)5-7)9(13)1-2-10(20(14,15)16)21(17,18)19/h3-5,10H,1-2H2,(H2,14,15,16)(H2,17,18,19)