5-methyl-3-sulfo-2-[tris(bromanyl)methylsulfonyl]benzoic acid

Systemtic Name: 5-methyl-3-sulfo-2-[tris(bromanyl)methylsulfonyl]benzoic acid Openeye Name: 5-methyl-3-sulfo-2-(tribromomethylsulfonyl)benzoic acid CAS Name: 5-methyl-3-sulfo-2-(tribromomethylsulfonyl)benzoic acid IUPAC Name: 5-methyl-3-sulfo-2-(tribromomethylsulfonyl)benzoic acid Traditional Name: 5-methyl-3-sulfo-2-(tribromomethylsulfonyl)benzoic acid Formula: C9H7Br3O7S2 MolecularWeight: 530.98968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)C(Br)(Br)Br)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)C(Br)(Br)Br)S(=O)(=O)O

InChI

InChI=1S/C9H7Br3O7S2/c1-4-2-5(8(13)14)7(6(3-4)21(17,18)19)20(15,16)9(10,11)12/h2-3H,1H3,(H,13,14)(H,17,18,19)