2-(phenylmethyl)-2-[1,1,1-tris(fluoranyl)propan-2-yl]propanedioate

Systemtic Name: 2-(phenylmethyl)-2-[1,1,1-tris(fluoranyl)propan-2-yl]propanedioate Openeye Name: 2-benzyl-2-(2,2,2-trifluoro-1-methyl-ethyl)propanedioate CAS Name: 2-(phenylmethyl)-2-(1,1,1-trifluoropropan-2-yl)propanedioate IUPAC Name: 2-benzyl-2-(1,1,1-trifluoropropan-2-yl)propanedioate Traditional Name: 2-benzyl-2-(2,2,2-trifluoro-1-methyl-ethyl)malonate Formula: C13H11F3O4-2 MolecularWeight: 288.21925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)(C(=O)[O-])C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C(CC1=CC=CC=C1)(C(=O)[O-])C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H13F3O4/c1-8(13(14,15)16)12(10(17)18,11(19)20)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)/p-2