sodium 5-bromanyl-2-(4-bromanylphenoxy)benzenesulfonate

Systemtic Name: sodium 5-bromanyl-2-(4-bromanylphenoxy)benzenesulfonate Openeye Name: sodium 5-bromo-2-(4-bromophenoxy)benzenesulfonate CAS Name: sodium 5-bromo-2-(4-bromophenoxy)benzenesulfonate IUPAC Name: sodium 5-bromo-2-(4-bromophenoxy)benzenesulfonate Traditional Name: sodium 5-bromo-2-(4-bromophenoxy)besylate Formula: C12H7Br2NaO4S MolecularWeight: 430.04435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)S(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)S(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C12H8Br2O4S.Na/c13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17;/h1-7H,(H,15,16,17);/q;+1/p-1