(E)-3-(4-bromanyl-8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoranyl-but-2-enoic acid

Systemtic Name: (E)-3-(4-bromanyl-8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-3-(4-bromo-8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoro-but-2-enoic acid CAS Name: (E)-3-(4-bromo-8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(4-bromo-8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-3-(4-bromo-8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoro-but-2-enoic acid Formula: C22H28BrFO3 MolecularWeight: 439.358323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=CCC(C2=C1Br)(C)C)C(C)(C)C)C(=C(C(=O)O)F)C

Isomeric SMILES

CCOC1=C(C=C2C(=CCC(C2=C1Br)(C)C)C(C)(C)C)/C(=C(\C(=O)O)/F)/C

InChI

InChI=1S/C22H28BrFO3/c1-8-27-19-13(12(2)18(24)20(25)26)11-14-15(21(3,4)5)9-10-22(6,7)16(14)17(19)23/h9,11H,8,10H2,1-7H3,(H,25,26)/b18-12+