[(5Z)-4-butoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(5Z)-4-butoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5Z)-4-butoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5Z)-4-butoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-2-pyrrolyl] ester IUPAC Name: [(5Z)-4-butoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5Z)-4-butoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] ester Formula: C25H37F3N2O4S MolecularWeight: 518.63249

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H37F3N2O4S/c1-3-5-7-8-9-10-11-12-13-14-20-15-16-21(29-20)18-22-23(33-17-6-4-2)19-24(30-22)34-35(31,32)25(26,27)28/h15-16,18-19,29H,3-14,17H2,1-2H3/b22-18-