2,2-dimethylpropyl 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3,5-tris(fluoranyl)-6-oxidanyl-benzenesulfonate

Systemtic Name: 2,2-dimethylpropyl 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3,5-tris(fluoranyl)-6-oxidanyl-benzenesulfonate Openeye Name: 2,2-dimethylpropyl 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3,5-trifluoro-6-hydroxy-benzenesulfonate CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3,5-trifluoro-6-hydroxybenzenesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3,5-trifluoro-6-hydroxybenzenesulfonate Traditional Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3,5-trifluoro-6-hydroxy-benzenesulfonic acid neopentyl ester Formula: C21H29F3O5S MolecularWeight: 450.51217

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC1=C(C(=C(C(=C1F)F)S(=O)(=O)OCC(C)(C)C)O)F)C)C

Isomeric SMILES

CC(=CCC/C(=C/COC1=C(C(=C(C(=C1F)F)S(=O)(=O)OCC(C)(C)C)O)F)/C)C

InChI

InChI=1S/C21H29F3O5S/c1-13(2)8-7-9-14(3)10-11-28-19-15(22)16(23)20(18(25)17(19)24)30(26,27)29-12-21(4,5)6/h8,10,25H,7,9,11-12H2,1-6H3/b14-10+