4-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanyl-2-(trifluoromethyl)pent-4-enoic acid

Systemtic Name: 4-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanyl-2-(trifluoromethyl)pent-4-enoic acid Openeye Name: 4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoic acid CAS Name: 4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)-4-pentenoic acid IUPAC Name: 4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoic acid Traditional Name: 4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoic acid Formula: C13H12F4O4 MolecularWeight: 308.225593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=C)CC(C(=O)O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=C)CC(C(=O)O)(C(F)(F)F)O

InChI

InChI=1S/C13H12F4O4/c1-7(6-12(20,11(18)19)13(15,16)17)9-5-8(14)3-4-10(9)21-2/h3-5,20H,1,6H2,2H3,(H,18,19)