2-[(5-bromanylnaphthalen-2-yl)methyl]-3-ethoxy-4,4,4-tris(fluoranyl)-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(5-bromanylnaphthalen-2-yl)methyl]-3-ethoxy-4,4,4-tris(fluoranyl)-3-oxidanyl-butanoic acid Openeye Name: 2-[(5-bromo-2-naphthyl)methyl]-3-ethoxy-4,4,4-trifluoro-3-hydroxy-butanoic acid CAS Name: 2-[(5-bromo-2-naphthalenyl)methyl]-3-ethoxy-4,4,4-trifluoro-3-hydroxybutanoic acid IUPAC Name: 2-[(5-bromonaphthalen-2-yl)methyl]-3-ethoxy-4,4,4-trifluoro-3-hydroxybutanoic acid Traditional Name: 2-[(5-bromo-2-naphthyl)methyl]-3-ethoxy-4,4,4-trifluoro-3-hydroxy-butyric acid Formula: C17H16BrF3O4 MolecularWeight: 421.20575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC1=CC2=C(C=C1)C(=CC=C2)Br)C(=O)O)(C(F)(F)F)O

Isomeric SMILES

CCOC(C(CC1=CC2=C(C=C1)C(=CC=C2)Br)C(=O)O)(C(F)(F)F)O

InChI

InChI=1S/C17H16BrF3O4/c1-2-25-16(24,17(19,20)21)13(15(22)23)9-10-6-7-12-11(8-10)4-3-5-14(12)18/h3-8,13,24H,2,9H2,1H3,(H,22,23)