sodium [4-[tris(bromanyl)methylsulfonyl]phenoxy]methanesulfonate

Systemtic Name: sodium [4-[tris(bromanyl)methylsulfonyl]phenoxy]methanesulfonate Openeye Name: sodium [4-(tribromomethylsulfonyl)phenoxy]methanesulfonate CAS Name: sodium [4-(tribromomethylsulfonyl)phenoxy]methanesulfonate IUPAC Name: sodium [4-(tribromomethylsulfonyl)phenoxy]methanesulfonate Traditional Name: sodium [4-(tribromomethylsulfonyl)phenoxy]methanesulfonate Formula: C8H6Br3NaO6S2 MolecularWeight: 524.96141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCS(=O)(=O)[O-])S(=O)(=O)C(Br)(Br)Br.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OCS(=O)(=O)[O-])S(=O)(=O)C(Br)(Br)Br.[Na+]

InChI

InChI=1S/C8H7Br3O6S2.Na/c9-8(10,11)19(15,16)7-3-1-6(2-4-7)17-5-18(12,13)14;/h1-4H,5H2,(H,12,13,14);/q;+1/p-1