5-bromanyl-6-(phenylsulfonyl)-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-bromanyl-6-(phenylsulfonyl)-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(benzenesulfonyl)-6-bromo-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(benzenesulfonyl)-6-bromo-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(benzenesulfonyl)-6-bromo-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-besyl-6-bromo-1,3-benzodioxole-2-carboxylic acid Formula: C14H9BrO6S MolecularWeight: 385.18666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)OC(O3)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)OC(O3)C(=O)O)Br

InChI

InChI=1S/C14H9BrO6S/c15-9-6-10-11(21-14(20-10)13(16)17)7-12(9)22(18,19)8-4-2-1-3-5-8/h1-7,14H,(H,16,17)