2-fluoranyl-4-(4-octylphenyl)-1-[1,1,1-tris(fluoranyl)-5-methyl-hexan-2-yl]oxycarbonyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-fluoranyl-4-(4-octylphenyl)-1-[1,1,1-tris(fluoranyl)-5-methyl-hexan-2-yl]oxycarbonyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-fluoro-1-[4-methyl-1-(trifluoromethyl)pentoxy]carbonyl-4-(4-octylphenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-fluoro-4-(4-octylphenyl)-1-[oxo-(1,1,1-trifluoro-5-methylhexan-2-yl)oxymethyl]-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-fluoro-4-(4-octylphenyl)-1-(1,1,1-trifluoro-5-methylhexan-2-yl)oxycarbonylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-fluoro-1-[4-methyl-1-(trifluoromethyl)pentoxy]carbonyl-4-(4-octylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C29H38F4O4 MolecularWeight: 526.603233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C(=O)O)C(=O)OC(CCC(C)C)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C(=O)O)C(=O)OC(CCC(C)C)C(F)(F)F

InChI

InChI=1S/C29H38F4O4/c1-4-5-6-7-8-9-10-21-12-14-22(15-13-21)23-17-18-28(26(34)35,24(30)19-23)27(36)37-25(29(31,32)33)16-11-20(2)3/h12-15,17-20,23,25H,4-11,16H2,1-3H3,(H,34,35)