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

Systemtic Name: [(5Z)-5-[(5-heptyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-pyrrol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5Z)-5-[(5-heptyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5Z)-5-[(5-heptyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolyl] ester IUPAC Name: [(5Z)-5-[(5-heptyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5Z)-5-[(5-heptyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-yl] ester Formula: C18H23F3N2O4S MolecularWeight: 420.44643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(N1)C=C2C(=CC(=N2)OS(=O)(=O)C(F)(F)F)OC

Isomeric SMILES

CCCCCCCC1=CC=C(N1)/C=C\2/C(=CC(=N2)OS(=O)(=O)C(F)(F)F)OC

InChI

InChI=1S/C18H23F3N2O4S/c1-3-4-5-6-7-8-13-9-10-14(22-13)11-15-16(26-2)12-17(23-15)27-28(24,25)18(19,20)21/h9-12,22H,3-8H2,1-2H3/b15-11-