4-(3-cyano-3,3-diphenyl-propoxy)-2,3,5-tris(fluoranyl)-6-oxidanyl-benzoic acid

Systemtic Name: 4-(3-cyano-3,3-diphenyl-propoxy)-2,3,5-tris(fluoranyl)-6-oxidanyl-benzoic acid Openeye Name: 4-(3-cyano-3,3-diphenyl-propoxy)-2,3,5-trifluoro-6-hydroxy-benzoic acid CAS Name: 4-(3-cyano-3,3-diphenylpropoxy)-2,3,5-trifluoro-6-hydroxybenzoic acid IUPAC Name: 4-(3-cyano-3,3-diphenylpropoxy)-2,3,5-trifluoro-6-hydroxybenzoic acid Traditional Name: 4-(3-cyano-3,3-diphenyl-propoxy)-2,3,5-trifluoro-6-hydroxy-benzoic acid Formula: C23H16F3NO4 MolecularWeight: 427.37265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCOC2=C(C(=C(C(=C2F)F)C(=O)O)O)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCOC2=C(C(=C(C(=C2F)F)C(=O)O)O)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H16F3NO4/c24-17-16(22(29)30)20(28)19(26)21(18(17)25)31-12-11-23(13-27,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,28H,11-12H2,(H,29,30)