butane; propanedioate; 2-[2,4,6-tris(fluoranyl)phenyl]propanedioate

Systemtic Name: butane; propanedioate; 2-[2,4,6-tris(fluoranyl)phenyl]propanedioate Openeye Name: butane; propanedioate; 2-(2,4,6-trifluorophenyl)propanedioate CAS Name: butane; propanedioate; 2-(2,4,6-trifluorophenyl)propanedioate IUPAC Name: butane; propanedioate; 2-(2,4,6-trifluorophenyl)propanedioate Traditional Name: malonate; n-butane; 2-(2,4,6-trifluorophenyl)malonate Formula: C20H25F3O8-4 MolecularWeight: 450.40291

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCC.C1=C(C=C(C(=C1F)C(C(=O)[O-])C(=O)[O-])F)F.C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC.CCCC.C1=C(C=C(C(=C1F)C(C(=O)[O-])C(=O)[O-])F)F.C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C9H5F3O4.2C4H10.C3H4O4/c10-3-1-4(11)6(5(12)2-3)7(8(13)14)9(15)16;2*1-3-4-2;4-2(5)1-3(6)7/h1-2,7H,(H,13,14)(H,15,16);2*3-4H2,1-2H3;1H2,(H,4,5)(H,6,7)/p-4