sulfurous acid; 3-[3-(trifluoromethyl)phenyl]propanal

Systemtic Name: sulfurous acid; 3-[3-(trifluoromethyl)phenyl]propanal Openeye Name: sulfurous acid; 3-[3-(trifluoromethyl)phenyl]propanal CAS Name: sulfurous acid; 3-[3-(trifluoromethyl)phenyl]propanal IUPAC Name: sulfurous acid; 3-[3-(trifluoromethyl)phenyl]propanal Traditional Name: sulfurous acid; 3-[3-(trifluoromethyl)phenyl]propionaldehyde Formula: C10H11F3O4S MolecularWeight: 284.25215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CCC=O.OS(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CCC=O.OS(=O)O

InChI

InChI=1S/C10H9F3O.H2O3S/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;1-4(2)3/h1,3,5-7H,2,4H2;(H2,1,2,3)