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

Systemtic Name: (E)-3-(8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-3-(8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoro-but-2-enoic acid CAS Name: (E)-3-(8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-3-(8-tert-butyl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoro-but-2-enoic acid Formula: C22H29FO3 MolecularWeight: 360.462263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)(C)C)C(=C(C(=O)O)F)C

Isomeric SMILES

CCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)(C)C)/C(=C(\C(=O)O)/F)/C

InChI

InChI=1S/C22H29FO3/c1-8-26-18-12-17-15(11-14(18)13(2)19(23)20(24)25)16(21(3,4)5)9-10-22(17,6)7/h9,11-12H,8,10H2,1-7H3,(H,24,25)/b19-13+