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

Systemtic Name: 3-(4-fluorophenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-methylsulfonyloxy-phenyl]benzoic acid Openeye Name: 3-(4-fluorophenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-methylsulfonyloxy-phenyl]benzoic acid CAS Name: 3-(4-fluorophenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-methylsulfonyloxyphenyl]benzoic acid IUPAC Name: 3-(4-fluorophenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-methylsulfonyloxyphenyl]benzoic acid Traditional Name: 3-(4-fluorophenyl)-2,5-dimethoxy-6-[4-(4-methylpent-3-enoxy)-3-methylsulfonyloxy-phenyl]benzoic acid Formula: C28H29FO8S MolecularWeight: 544.588463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2C(=O)O)OC)C3=CC=C(C=C3)F)OC)OS(=O)(=O)C)C

Isomeric SMILES

CC(=CCCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2C(=O)O)OC)C3=CC=C(C=C3)F)OC)OS(=O)(=O)C)C

InChI

InChI=1S/C28H29FO8S/c1-17(2)7-6-14-36-22-13-10-19(15-23(22)37-38(5,32)33)25-24(34-3)16-21(18-8-11-20(29)12-9-18)27(35-4)26(25)28(30)31/h7-13,15-16H,6,14H2,1-5H3,(H,30,31)