4-bromanyl-5-chloranylsulfonyl-2-nitro-benzoic acid

Systemtic Name: 4-bromanyl-5-chloranylsulfonyl-2-nitro-benzoic acid Openeye Name: 4-bromo-5-chlorosulfonyl-2-nitro-benzoic acid CAS Name: 4-bromo-5-chlorosulfonyl-2-nitrobenzoic acid IUPAC Name: 4-bromo-5-chlorosulfonyl-2-nitrobenzoic acid Traditional Name: 4-bromo-5-chlorosulfonyl-2-nitro-benzoic acid Formula: C7H3BrClNO6S MolecularWeight: 344.52382

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)Cl)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)Cl)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H3BrClNO6S/c8-4-2-5(10(13)14)3(7(11)12)1-6(4)17(9,15)16/h1-2H,(H,11,12)