[1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]azulen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]azulen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]azulen-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]-2-azulenyl] ester IUPAC Name: [1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]azulen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [1-(1-triflyl-4H-pyridin-4-yl)azulen-2-yl] ester Formula: C17H11F6NO5S2 MolecularWeight: 487.393359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=C2C=C1)C3C=CN(C=C3)S(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C=C(C(=C2C=C1)C3C=CN(C=C3)S(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H11F6NO5S2/c18-16(19,20)30(25,26)24-8-6-11(7-9-24)15-13-5-3-1-2-4-12(13)10-14(15)29-31(27,28)17(21,22)23/h1-11H