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

Systemtic Name: [(5Z)-4-phenylmethoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5Z)-4-benzyloxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5Z)-4-phenylmethoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-2-pyrrolyl] ester IUPAC Name: [(5Z)-4-phenylmethoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5Z)-4-benzoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] ester Formula: C28H35F3N2O4S MolecularWeight: 552.64871

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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)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(N1)/C=C\2/C(=CC(=N2)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3

InChI

InChI=1S/C28H35F3N2O4S/c1-2-3-4-5-6-7-8-9-13-16-23-17-18-24(32-23)19-25-26(36-21-22-14-11-10-12-15-22)20-27(33-25)37-38(34,35)28(29,30)31/h10-12,14-15,17-20,32H,2-9,13,16,21H2,1H3/b25-19-