1-[4-ethyl-1,1,1-tris(fluoranyl)hexan-2-yl]oxycarbonyl-2-fluoranyl-4-(4-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 1-[4-ethyl-1,1,1-tris(fluoranyl)hexan-2-yl]oxycarbonyl-2-fluoranyl-4-(4-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-[3-ethyl-1-(trifluoromethyl)pentoxy]carbonyl-2-fluoro-4-(4-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-[(4-ethyl-1,1,1-trifluorohexan-2-yl)oxy-oxomethyl]-2-fluoro-4-(4-nonylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 1-(4-ethyl-1,1,1-trifluorohexan-2-yl)oxycarbonyl-2-fluoro-4-(4-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-[3-ethyl-1-(trifluoromethyl)pentoxy]carbonyl-2-fluoro-4-(4-nonylphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C31H41F4O4- MolecularWeight: 553.648453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C(=O)[O-])C(=O)OC(CC(CC)CC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C(=O)[O-])C(=O)OC(CC(CC)CC)C(F)(F)F

InChI

InChI=1S/C31H42F4O4/c1-4-7-8-9-10-11-12-13-23-14-16-24(17-15-23)25-18-19-30(28(36)37,26(32)21-25)29(38)39-27(31(33,34)35)20-22(5-2)6-3/h14-19,21-22,25,27H,4-13,20H2,1-3H3,(H,36,37)/p-1