4-(4-decylphenyl)-2-fluoranyl-1-[1,1,1-tris(fluoranyl)-6-methyl-heptan-2-yl]oxycarbonyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(4-decylphenyl)-2-fluoranyl-1-[1,1,1-tris(fluoranyl)-6-methyl-heptan-2-yl]oxycarbonyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-(4-decylphenyl)-2-fluoro-1-[5-methyl-1-(trifluoromethyl)hexoxy]carbonyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-(4-decylphenyl)-2-fluoro-1-[oxo-(1,1,1-trifluoro-6-methylheptan-2-yl)oxymethyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(4-decylphenyl)-2-fluoro-1-(1,1,1-trifluoro-6-methylheptan-2-yl)oxycarbonylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-(4-decylphenyl)-2-fluoro-1-[5-methyl-1-(trifluoromethyl)hexoxy]carbonyl-cyclohexa-2,5-diene-1-carboxylate Formula: C32H43F4O4- MolecularWeight: 567.675033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C(=O)[O-])C(=O)OC(CCCC(C)C)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C(=O)[O-])C(=O)OC(CCCC(C)C)C(F)(F)F

InChI

InChI=1S/C32H44F4O4/c1-4-5-6-7-8-9-10-11-14-24-16-18-25(19-17-24)26-20-21-31(29(37)38,27(33)22-26)30(39)40-28(32(34,35)36)15-12-13-23(2)3/h16-23,26,28H,4-15H2,1-3H3,(H,37,38)/p-1