5-(dioxidanylmethyl)-2-[tris(bromanyl)methylsulfonyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(dioxidanylmethyl)-2-[tris(bromanyl)methylsulfonyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-(hydroperoxymethyl)-2-(tribromomethylsulfonyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(hydroperoxymethyl)-2-(tribromomethylsulfonyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(hydroperoxymethyl)-2-(tribromomethylsulfonyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(hydroperoxymethyl)-2-(tribromomethylsulfonyl)isophthalic acid Formula: C10H7Br3O8S MolecularWeight: 526.93478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)S(=O)(=O)C(Br)(Br)Br)C(=O)O)COO

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)S(=O)(=O)C(Br)(Br)Br)C(=O)O)COO

InChI

InChI=1S/C10H7Br3O8S/c11-10(12,13)22(19,20)7-5(8(14)15)1-4(3-21-18)2-6(7)9(16)17/h1-2,18H,3H2,(H,14,15)(H,16,17)