4-methylbenzenesulfonic acid; 2,2,2-tris(fluoranyl)ethanal

Systemtic Name: 4-methylbenzenesulfonic acid; 2,2,2-tris(fluoranyl)ethanal Openeye Name: 4-methylbenzenesulfonic acid; 2,2,2-trifluoroacetaldehyde CAS Name: 4-methylbenzenesulfonic acid; 2,2,2-trifluoroacetaldehyde IUPAC Name: 4-methylbenzenesulfonic acid; 2,2,2-trifluoroacetaldehyde Traditional Name: tosylic acid; 2,2,2-trifluoroacetaldehyde Formula: C9H9F3O4S MolecularWeight: 270.22557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2HF3O/c1-6-2-4-7(5-3-6)11(8,9)10;3-2(4,5)1-6/h2-5H,1H3,(H,8,9,10);1H