2-[[4-[bis(fluoranyl)-phosphono-methyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[4-[bis(fluoranyl)-phosphono-methyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-methoxy-3-oxo-propanoic acid CAS Name: 2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid IUPAC Name: 2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid Traditional Name: 2-[4-[difluoro(phosphono)methyl]benzyl]-3-keto-3-methoxy-propionic acid Formula: C12H13F2O7P MolecularWeight: 338.197987

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H13F2O7P/c1-21-11(17)9(10(15)16)6-7-2-4-8(5-3-7)12(13,14)22(18,19)20/h2-5,9H,6H2,1H3,(H,15,16)(H2,18,19,20)