2-[[3,5-bis(bromanyl)-4-(2-ethyl-4-oxidanyl-5-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(2-ethyl-4-oxidanyl-5-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3,5-dibromo-4-(2-ethyl-4-hydroxy-5-isopropyl-phenoxy)anilino]-2-oxo-acetic acid CAS Name: 2-[3,5-dibromo-4-(2-ethyl-4-hydroxy-5-propan-2-ylphenoxy)anilino]-2-oxoacetic acid IUPAC Name: 2-[3,5-dibromo-4-(2-ethyl-4-hydroxy-5-propan-2-ylphenoxy)anilino]-2-oxoacetic acid Traditional Name: 2-[3,5-dibromo-4-(2-ethyl-4-hydroxy-5-isopropyl-phenoxy)anilino]-2-keto-acetic acid Formula: C19H19Br2NO5 MolecularWeight: 501.16586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OC2=C(C=C(C=C2Br)NC(=O)C(=O)O)Br)C(C)C)O

Isomeric SMILES

CCC1=CC(=C(C=C1OC2=C(C=C(C=C2Br)NC(=O)C(=O)O)Br)C(C)C)O

InChI

InChI=1S/C19H19Br2NO5/c1-4-10-5-15(23)12(9(2)3)8-16(10)27-17-13(20)6-11(7-14(17)21)22-18(24)19(25)26/h5-9,23H,4H2,1-3H3,(H,22,24)(H,25,26)