sodium 2-[4-[bis(bromanyl)methylsulfonyl]phenoxy]ethanesulfonate

Systemtic Name: sodium 2-[4-[bis(bromanyl)methylsulfonyl]phenoxy]ethanesulfonate Openeye Name: sodium 2-[4-(dibromomethylsulfonyl)phenoxy]ethanesulfonate CAS Name: sodium 2-[4-(dibromomethylsulfonyl)phenoxy]ethanesulfonate IUPAC Name: sodium 2-[4-(dibromomethylsulfonyl)phenoxy]ethanesulfonate Traditional Name: sodium 2-[4-(dibromomethylsulfonyl)phenoxy]ethanesulfonate Formula: C9H9Br2NaO6S2 MolecularWeight: 460.09193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCS(=O)(=O)[O-])S(=O)(=O)C(Br)Br.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OCCS(=O)(=O)[O-])S(=O)(=O)C(Br)Br.[Na+]

InChI

InChI=1S/C9H10Br2O6S2.Na/c10-9(11)19(15,16)8-3-1-7(2-4-8)17-5-6-18(12,13)14;/h1-4,9H,5-6H2,(H,12,13,14);/q;+1/p-1