4-[4-ethanoyl-13,13,13-tris(fluoranyl)-8-oxidanyl-tridecyl]benzoic acid

Systemtic Name: 4-[4-ethanoyl-13,13,13-tris(fluoranyl)-8-oxidanyl-tridecyl]benzoic acid Openeye Name: 4-(4-acetyl-13,13,13-trifluoro-8-hydroxy-tridecyl)benzoic acid CAS Name: 4-(4-acetyl-13,13,13-trifluoro-8-hydroxytridecyl)benzoic acid IUPAC Name: 4-(4-acetyl-13,13,13-trifluoro-8-hydroxytridecyl)benzoic acid Traditional Name: 4-(4-acetyl-13,13,13-trifluoro-8-hydroxy-tridecyl)benzoic acid Formula: C22H31F3O4 MolecularWeight: 416.47435

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC1=CC=C(C=C1)C(=O)O)CCCC(CCCCC(F)(F)F)O

Isomeric SMILES

CC(=O)C(CCCC1=CC=C(C=C1)C(=O)O)CCCC(CCCCC(F)(F)F)O

InChI

InChI=1S/C22H31F3O4/c1-16(26)18(7-4-6-17-11-13-19(14-12-17)21(28)29)8-5-10-20(27)9-2-3-15-22(23,24)25/h11-14,18,20,27H,2-10,15H2,1H3,(H,28,29)