sodium 3-[4-[bis(bromanyl)methylsulfonyl]phenoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[4-[bis(bromanyl)methylsulfonyl]phenoxy]propane-1-sulfonate Openeye Name: sodium 3-[4-(dibromomethylsulfonyl)phenoxy]propane-1-sulfonate CAS Name: sodium 3-[4-(dibromomethylsulfonyl)phenoxy]-1-propanesulfonate IUPAC Name: sodium 3-[4-(dibromomethylsulfonyl)phenoxy]propane-1-sulfonate Traditional Name: sodium 3-[4-(dibromomethylsulfonyl)phenoxy]propane-1-sulfonate Formula: C10H11Br2NaO6S2 MolecularWeight: 474.11851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCS(=O)(=O)[O-])S(=O)(=O)C(Br)Br.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OCCCS(=O)(=O)[O-])S(=O)(=O)C(Br)Br.[Na+]

InChI

InChI=1S/C10H12Br2O6S2.Na/c11-10(12)20(16,17)9-4-2-8(3-5-9)18-6-1-7-19(13,14)15;/h2-5,10H,1,6-7H2,(H,13,14,15);/q;+1/p-1