[3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-cyano-3-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexen-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexenyl] ester IUPAC Name: [3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexen-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-cyano-3-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexen-1-yl] ester Formula: C20H22F3NO5S MolecularWeight: 445.45259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(=C2)OS(=O)(=O)C(F)(F)F)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC(=C2)OS(=O)(=O)C(F)(F)F)C#N)OC3CCCC3

InChI

InChI=1S/C20H22F3NO5S/c1-27-17-9-8-14(11-18(17)28-15-5-2-3-6-15)19(13-24)10-4-7-16(12-19)29-30(25,26)20(21,22)23/h8-9,11-12,15H,2-7,10H2,1H3