[4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexen-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexenyl] ester IUPAC Name: [4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexen-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexen-1-yl] ester Formula: C19H20F3NO5S MolecularWeight: 431.42601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2(CCC(=CC2)OS(=O)(=O)C(F)(F)F)C#N)OCC3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)C2(CCC(=CC2)OS(=O)(=O)C(F)(F)F)C#N)OCC3CC3

InChI

InChI=1S/C19H20F3NO5S/c1-26-15-4-5-16(17(10-15)27-11-13-2-3-13)18(12-23)8-6-14(7-9-18)28-29(24,25)19(20,21)22/h4-6,10,13H,2-3,7-9,11H2,1H3