2-(4-fluorophenyl)-3,6-dimethoxy-5-[4-(4-methylpent-3-enoxy)-3-oxidanyl-phenyl]benzoic acid

Systemtic Name: 2-(4-fluorophenyl)-3,6-dimethoxy-5-[4-(4-methylpent-3-enoxy)-3-oxidanyl-phenyl]benzoic acid Openeye Name: 2-(4-fluorophenyl)-5-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-3,6-dimethoxy-benzoic acid CAS Name: 2-(4-fluorophenyl)-5-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-3,6-dimethoxybenzoic acid IUPAC Name: 2-(4-fluorophenyl)-5-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-3,6-dimethoxybenzoic acid Traditional Name: 2-(4-fluorophenyl)-5-[3-hydroxy-4-(4-methylpent-3-enoxy)phenyl]-3,6-dimethoxy-benzoic acid Formula: C27H27FO6 MolecularWeight: 466.498083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCOC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)C(=O)O)C3=CC=C(C=C3)F)OC)O)C

Isomeric SMILES

CC(=CCCOC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)C(=O)O)C3=CC=C(C=C3)F)OC)O)C

InChI

InChI=1S/C27H27FO6/c1-16(2)6-5-13-34-22-12-9-18(14-21(22)29)20-15-23(32-3)24(17-7-10-19(28)11-8-17)25(27(30)31)26(20)33-4/h6-12,14-15,29H,5,13H2,1-4H3,(H,30,31)