methanal; [4,4,4-tris(fluoranyl)-3-oxidanylidene-butyl] 4-methylbenzenesulfonate

Systemtic Name: methanal; [4,4,4-tris(fluoranyl)-3-oxidanylidene-butyl] 4-methylbenzenesulfonate Openeye Name: formaldehyde; (4,4,4-trifluoro-3-oxo-butyl) 4-methylbenzenesulfonate CAS Name: formaldehyde; 4-methylbenzenesulfonic acid (4,4,4-trifluoro-3-oxobutyl) ester IUPAC Name: formaldehyde; (4,4,4-trifluoro-3-oxobutyl) 4-methylbenzenesulfonate Traditional Name: formaldehyde; 4-methylbenzenesulfonic acid (4,4,4-trifluoro-3-keto-butyl) ester Formula: C12H13F3O5S MolecularWeight: 326.28883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)C(F)(F)F.C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)C(F)(F)F.C=O

InChI

InChI=1S/C11H11F3O4S.CH2O/c1-8-2-4-9(5-3-8)19(16,17)18-7-6-10(15)11(12,13)14;1-2/h2-5H,6-7H2,1H3;1H2