ethyl 7-(3,7-dimethylocta-1,6-dien-3-yl)-6-(trifluoromethylsulfonyloxy)-1H-indole-2-carboxylate

Systemtic Name: ethyl 7-(3,7-dimethylocta-1,6-dien-3-yl)-6-(trifluoromethylsulfonyloxy)-1H-indole-2-carboxylate Openeye Name: ethyl 7-(1,5-dimethyl-1-vinyl-hex-4-enyl)-6-(trifluoromethylsulfonyloxy)-1H-indole-2-carboxylate CAS Name: 7-(3,7-dimethylocta-1,6-dien-3-yl)-6-(trifluoromethylsulfonyloxy)-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(3,7-dimethylocta-1,6-dien-3-yl)-6-(trifluoromethylsulfonyloxy)-1H-indole-2-carboxylate Traditional Name: 7-(1,5-dimethyl-1-vinyl-hex-4-enyl)-6-triflyloxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H26F3NO5S MolecularWeight: 473.50575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C(=C(C=C2)OS(=O)(=O)C(F)(F)F)C(C)(CCC=C(C)C)C=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C(=C(C=C2)OS(=O)(=O)C(F)(F)F)C(C)(CCC=C(C)C)C=C

InChI

InChI=1S/C22H26F3NO5S/c1-6-21(5,12-8-9-14(3)4)18-17(31-32(28,29)22(23,24)25)11-10-15-13-16(26-19(15)18)20(27)30-7-2/h6,9-11,13,26H,1,7-8,12H2,2-5H3