sodium 2-bromanyl-5-(4-bromophenyl)benzenesulfonate

Systemtic Name: sodium 2-bromanyl-5-(4-bromophenyl)benzenesulfonate Openeye Name: sodium 2-bromo-5-(4-bromophenyl)benzenesulfonate CAS Name: sodium 2-bromo-5-(4-bromophenyl)benzenesulfonate IUPAC Name: sodium 2-bromo-5-(4-bromophenyl)benzenesulfonate Traditional Name: sodium 2-bromo-5-(4-bromophenyl)besylate Formula: C12H7Br2NaO3S MolecularWeight: 414.04495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8Br2O3S.Na/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)18(15,16)17;/h1-7H,(H,15,16,17);/q;+1/p-1