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disodium 3-sulfonato-2-[tris(bromanyl)methylsulfonyl]benzoate

disodium 3-sulfonato-2-[tris(bromanyl)methylsulfonyl]benzoate

Systemtic Name:disodium 3-sulfonato-2-[tris(bromanyl)methylsulfonyl]benzoate
Openeye Name:disodium 3-sulfonato-2-(tribromomethylsulfonyl)benzoate
CAS Name:disodium 3-sulfonato-2-(tribromomethylsulfonyl)benzoate
IUPAC Name:disodium 3-sulfonato-2-(tribromomethylsulfonyl)benzoate
Traditional Name:disodium 3-sulfonato-2-(tribromomethylsulfonyl)benzoate
Formula: C8H3Br3Na2O7S2
MolecularWeight: 560.92676
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H5Br3O7S2.2Na/c9-8(10,11)19(14,15)6-4(7(12)13)2-1-3-5(6)20(16,17)18;;/h1-3H,(H,12,13)(H,16,17,18);;/q;2*+1/p-2


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