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

Systemtic Name: [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylidene]-4-phenylmethoxy-pyrrol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5Z)-4-benzyloxy-5-[(5-decyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylidene]-4-phenylmethoxy-2-pyrrolyl] ester IUPAC Name: [(5Z)-5-[(5-decyl-1H-pyrrol-2-yl)methylidene]-4-phenylmethoxypyrrol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5Z)-4-benzoxy-5-[(5-decyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl] ester Formula: C27H33F3N2O4S MolecularWeight: 538.62213

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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)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC1=CC=C(N1)/C=C\2/C(=CC(=N2)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3

InChI

InChI=1S/C27H33F3N2O4S/c1-2-3-4-5-6-7-8-12-15-22-16-17-23(31-22)18-24-25(35-20-21-13-10-9-11-14-21)19-26(32-24)36-37(33,34)27(28,29)30/h9-11,13-14,16-19,31H,2-8,12,15,20H2,1H3/b24-18-