2-[3-fluoranyl-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid

Systemtic Name: 2-[3-fluoranyl-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid Openeye Name: 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid CAS Name: 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid IUPAC Name: 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid Traditional Name: 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid Formula: C26H25FO6 MolecularWeight: 452.471503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2C(=O)O)OC)C3=CC=C(C=C3)O)OC)F)C

Isomeric SMILES

CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2C(=O)O)OC)C3=CC=C(C=C3)O)OC)F)C

InChI

InChI=1S/C26H25FO6/c1-15(2)11-12-33-21-10-7-17(13-20(21)27)23-22(31-3)14-19(16-5-8-18(28)9-6-16)25(32-4)24(23)26(29)30/h5-11,13-14,28H,12H2,1-4H3,(H,29,30)