3-sulfino-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-sulfino-5-(trifluoromethyl)benzoic acid Openeye Name: 3-sulfino-5-(trifluoromethyl)benzoic acid CAS Name: 3-sulfino-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-sulfino-5-(trifluoromethyl)benzoic acid Traditional Name: 3-sulfino-5-(trifluoromethyl)benzoic acid Formula: C8H5F3O4S MolecularWeight: 254.18311

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)S(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)S(=O)O)C(=O)O

InChI

InChI=1S/C8H5F3O4S/c9-8(10,11)5-1-4(7(12)13)2-6(3-5)16(14)15/h1-3H,(H,12,13)(H,14,15)