[5-oxidanyl-2-phenoxy-4-propoxy-6-[[3-(trifluoromethyl)phenyl]sulfonyloxymethyl]oxan-3-yl] butanoate

Systemtic Name: [5-oxidanyl-2-phenoxy-4-propoxy-6-[[3-(trifluoromethyl)phenyl]sulfonyloxymethyl]oxan-3-yl] butanoate Openeye Name: [5-hydroxy-2-phenoxy-4-propoxy-6-[[3-(trifluoromethyl)phenyl]sulfonyloxymethyl]tetrahydropyran-3-yl] butanoate CAS Name: butanoic acid [5-hydroxy-2-phenoxy-4-propoxy-6-[[3-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxanyl] ester IUPAC Name: [5-hydroxy-2-phenoxy-4-propoxy-6-[[3-(trifluoromethyl)phenyl]sulfonyloxymethyl]oxan-3-yl] butanoate Traditional Name: butyric acid [5-hydroxy-2-phenoxy-4-propoxy-6-[[3-(trifluoromethyl)phenyl]sulfonyloxymethyl]tetrahydropyran-3-yl] ester Formula: C26H31F3O9S MolecularWeight: 576.57915

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(C(C(OC1OC2=CC=CC=C2)COS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)O)OCCC

Isomeric SMILES

CCCC(=O)OC1C(C(C(OC1OC2=CC=CC=C2)COS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)O)OCCC

InChI

InChI=1S/C26H31F3O9S/c1-3-9-21(30)38-24-23(34-14-4-2)22(31)20(37-25(24)36-18-11-6-5-7-12-18)16-35-39(32,33)19-13-8-10-17(15-19)26(27,28)29/h5-8,10-13,15,20,22-25,31H,3-4,9,14,16H2,1-2H3