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

Systemtic Name: 2-(4-fluorophenyl)-3,6-dimethoxy-5-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]benzoic acid Openeye Name: 2-(4-fluorophenyl)-3,6-dimethoxy-5-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]benzoic acid CAS Name: 2-(4-fluorophenyl)-3,6-dimethoxy-5-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]benzoic acid IUPAC Name: 2-(4-fluorophenyl)-3,6-dimethoxy-5-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]benzoic acid Traditional Name: 2-(4-fluorophenyl)-3,6-dimethoxy-5-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxy-phenyl]benzoic acid Formula: C27H27FO8S MolecularWeight: 530.561883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)C(=O)O)C3=CC=C(C=C3)F)OC)OS(=O)(=O)C)C

Isomeric SMILES

CC(=CCOC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)C(=O)O)C3=CC=C(C=C3)F)OC)OS(=O)(=O)C)C

InChI

InChI=1S/C27H27FO8S/c1-16(2)12-13-35-21-11-8-18(14-22(21)36-37(5,31)32)20-15-23(33-3)24(17-6-9-19(28)10-7-17)25(27(29)30)26(20)34-4/h6-12,14-15H,13H2,1-5H3,(H,29,30)