3,5-dimethyl-4-[tris(bromanyl)methylsulfonyl]benzoic acid

Systemtic Name: 3,5-dimethyl-4-[tris(bromanyl)methylsulfonyl]benzoic acid Openeye Name: 3,5-dimethyl-4-(tribromomethylsulfonyl)benzoic acid CAS Name: 3,5-dimethyl-4-(tribromomethylsulfonyl)benzoic acid IUPAC Name: 3,5-dimethyl-4-(tribromomethylsulfonyl)benzoic acid Traditional Name: 3,5-dimethyl-4-(tribromomethylsulfonyl)benzoic acid Formula: C10H9Br3O4S MolecularWeight: 464.95306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C(Br)(Br)Br)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C(Br)(Br)Br)C)C(=O)O

InChI

InChI=1S/C10H9Br3O4S/c1-5-3-7(9(14)15)4-6(2)8(5)18(16,17)10(11,12)13/h3-4H,1-2H3,(H,14,15)