2-bromanyl-5-(4-bromanyl-3-sulfo-phenyl)benzenesulfonic acid

Systemtic Name: 2-bromanyl-5-(4-bromanyl-3-sulfo-phenyl)benzenesulfonic acid Openeye Name: 2-bromo-5-(4-bromo-3-sulfo-phenyl)benzenesulfonic acid CAS Name: 2-bromo-5-(4-bromo-3-sulfophenyl)benzenesulfonic acid IUPAC Name: 2-bromo-5-(4-bromo-3-sulfophenyl)benzenesulfonic acid Traditional Name: 2-bromo-5-(4-bromo-3-sulfo-phenyl)besylic acid Formula: C12H8Br2O6S2 MolecularWeight: 472.12632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)S(=O)(=O)O)S(=O)(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)S(=O)(=O)O)S(=O)(=O)O)Br

InChI

InChI=1S/C12H8Br2O6S2/c13-9-3-1-7(5-11(9)21(15,16)17)8-2-4-10(14)12(6-8)22(18,19)20/h1-6H,(H,15,16,17)(H,18,19,20)