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

Systemtic Name: [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-pyrrol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolyl] ester IUPAC Name: [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-yl] ester Formula: C21H29F3N2O4S MolecularWeight: 462.52617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(N1)C=C2C(=CC(=N2)OS(=O)(=O)C(F)(F)F)OC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(N1)/C=C\2/C(=CC(=N2)OS(=O)(=O)C(F)(F)F)OC

InChI

InChI=1S/C21H29F3N2O4S/c1-3-4-5-6-7-8-9-10-11-16-12-13-17(25-16)14-18-19(29-2)15-20(26-18)30-31(27,28)21(22,23)24/h12-15,25H,3-11H2,1-2H3/b18-14-