2-(4-bromanyl-2-chloranyl-phenyl)butane-1,4-disulfonate

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenyl)butane-1,4-disulfonate Openeye Name: 2-(4-bromo-2-chloro-phenyl)butane-1,4-disulfonate CAS Name: 2-(4-bromo-2-chlorophenyl)butane-1,4-disulfonate IUPAC Name: 2-(4-bromo-2-chlorophenyl)butane-1,4-disulfonate Traditional Name: 2-(4-bromo-2-chloro-phenyl)butane-1,4-disulfonate Formula: C10H10BrClO6S2-2 MolecularWeight: 405.6698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C10H12BrClO6S2/c11-8-1-2-9(10(12)5-8)7(6-20(16,17)18)3-4-19(13,14)15/h1-2,5,7H,3-4,6H2,(H,13,14,15)(H,16,17,18)/p-2