methyl 1-(trifluoromethylsulfonyloxy)benzo[g]phenanthrene-4-carboxylate

Systemtic Name: methyl 1-(trifluoromethylsulfonyloxy)benzo[g]phenanthrene-4-carboxylate Openeye Name: methyl 1-(trifluoromethylsulfonyloxy)benzo[g]phenanthrene-4-carboxylate CAS Name: 1-(trifluoromethylsulfonyloxy)-4-benzo[g]phenanthrenecarboxylic acid methyl ester IUPAC Name: methyl 1-(trifluoromethylsulfonyloxy)benzo[g]phenanthrene-4-carboxylate Traditional Name: 1-triflyloxybenzo[g]phenanthrene-4-carboxylic acid methyl ester Formula: C21H13F3O5S MolecularWeight: 434.38513

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC3=C(C2=C(C=C1)OS(=O)(=O)C(F)(F)F)C4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C2C=CC3=C(C2=C(C=C1)OS(=O)(=O)C(F)(F)F)C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H13F3O5S/c1-28-20(25)16-10-11-17(29-30(26,27)21(22,23)24)19-15(16)9-8-13-7-6-12-4-2-3-5-14(12)18(13)19/h2-11H,1H3