sodium [[3-[bis(bromanyl)methylsulfonyl]phenyl]carbonylamino]methanesulfonate

Systemtic Name: sodium [[3-[bis(bromanyl)methylsulfonyl]phenyl]carbonylamino]methanesulfonate Openeye Name: sodium [[3-(dibromomethylsulfonyl)benzoyl]amino]methanesulfonate CAS Name: sodium [[[3-(dibromomethylsulfonyl)phenyl]-oxomethyl]amino]methanesulfonate IUPAC Name: sodium [[3-(dibromomethylsulfonyl)benzoyl]amino]methanesulfonate Traditional Name: sodium [[3-(dibromomethylsulfonyl)benzoyl]amino]methanesulfonate Formula: C9H8Br2NNaO6S2 MolecularWeight: 473.09069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9Br2NO6S2.Na/c10-9(11)20(17,18)7-3-1-2-6(4-7)8(13)12-5-19(14,15)16;/h1-4,9H,5H2,(H,12,13)(H,14,15,16);/q;+1/p-1