sodium 4-[tris(bromanyl)methylsulfonyl]quinoline-2-sulfonate

Systemtic Name: sodium 4-[tris(bromanyl)methylsulfonyl]quinoline-2-sulfonate Openeye Name: sodium 4-(tribromomethylsulfonyl)quinoline-2-sulfonate CAS Name: sodium 4-(tribromomethylsulfonyl)-2-quinolinesulfonate IUPAC Name: sodium 4-(tribromomethylsulfonyl)quinoline-2-sulfonate Traditional Name: sodium 4-(tribromomethylsulfonyl)quinoline-2-sulfonate Formula: C10H5Br3NNaO5S2 MolecularWeight: 545.98217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)S(=O)(=O)[O-])S(=O)(=O)C(Br)(Br)Br.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)S(=O)(=O)[O-])S(=O)(=O)C(Br)(Br)Br.[Na+]

InChI

InChI=1S/C10H6Br3NO5S2.Na/c11-10(12,13)20(15,16)8-5-9(21(17,18)19)14-7-4-2-1-3-6(7)8;/h1-5H,(H,17,18,19);/q;+1/p-1