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

Systemtic Name: [(5Z)-4-phenylmethoxy-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(5Z)-4-benzyloxy-5-(1H-pyrrol-2-ylmethylene)pyrrol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(5Z)-4-phenylmethoxy-5-(1H-pyrrol-2-ylmethylidene)-2-pyrrolyl] ester IUPAC Name: [(5Z)-4-phenylmethoxy-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5Z)-4-benzoxy-5-(1H-pyrrol-2-ylmethylene)pyrrol-2-yl] ester Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=NC2=CC3=CC=CN3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC\2=CC(=N/C2=C\C3=CC=CN3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O4S/c18-17(19,20)27(23,24)26-16-10-15(25-11-12-5-2-1-3-6-12)14(22-16)9-13-7-4-8-21-13/h1-10,21H,11H2/b14-9-