disodium 2-bromanyl-5-(4-bromanyl-3-sulfonato-phenyl)benzenesulfonate

Systemtic Name: disodium 2-bromanyl-5-(4-bromanyl-3-sulfonato-phenyl)benzenesulfonate Openeye Name: disodium 2-bromo-5-(4-bromo-3-sulfonato-phenyl)benzenesulfonate CAS Name: disodium 2-bromo-5-(4-bromo-3-sulfonatophenyl)benzenesulfonate IUPAC Name: disodium 2-bromo-5-(4-bromo-3-sulfonatophenyl)benzenesulfonate Traditional Name: disodium 2-bromo-5-(4-bromo-3-sulfonato-phenyl)besylate Formula: C12H6Br2Na2O6S2 MolecularWeight: 516.08998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)S(=O)(=O)[O-])S(=O)(=O)[O-])Br.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)S(=O)(=O)[O-])S(=O)(=O)[O-])Br.[Na+].[Na+]

InChI

InChI=1S/C12H8Br2O6S2.2Na/c13-9-3-1-7(5-11(9)21(15,16)17)8-2-4-10(14)12(6-8)22(18,19)20;;/h1-6H,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2