4-[4-(4-butoxybutoxy)-2,3-bis(fluoranyl)phenyl]benzoic acid

Systemtic Name: 4-[4-(4-butoxybutoxy)-2,3-bis(fluoranyl)phenyl]benzoic acid Openeye Name: 4-[4-(4-butoxybutoxy)-2,3-difluoro-phenyl]benzoic acid CAS Name: 4-[4-(4-butoxybutoxy)-2,3-difluorophenyl]benzoic acid IUPAC Name: 4-[4-(4-butoxybutoxy)-2,3-difluorophenyl]benzoic acid Traditional Name: 4-[4-(4-butoxybutoxy)-2,3-difluoro-phenyl]benzoic acid Formula: C21H24F2O4 MolecularWeight: 378.409666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)O)F)F

Isomeric SMILES

CCCCOCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)O)F)F

InChI

InChI=1S/C21H24F2O4/c1-2-3-12-26-13-4-5-14-27-18-11-10-17(19(22)20(18)23)15-6-8-16(9-7-15)21(24)25/h6-11H,2-5,12-14H2,1H3,(H,24,25)