[(5Z)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(5Z)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5Z)-5-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5Z)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-2-pyrrolyl] ester IUPAC Name: [(5Z)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5Z)-5-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] ester Formula: C21H29F3N2O3S MolecularWeight: 446.52677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(N1)C=C2C=CC(=N2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(N1)/C=C\2/C=CC(=N2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H29F3N2O3S/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-18(25-17)16-19-14-15-20(26-19)29-30(27,28)21(22,23)24/h12-16,25H,2-11H2,1H3/b19-16-