5-chloranyl-3-fluoranyl-2-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfonyl-benzenecarbonitrile

Systemtic Name: 5-chloranyl-3-fluoranyl-2-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfonyl-benzenecarbonitrile Openeye Name: 5-chloro-2-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-3-fluoro-benzonitrile CAS Name: 5-chloro-2-(3,4-dihydroxy-5-nitrophenyl)sulfonyl-3-fluorobenzonitrile IUPAC Name: 5-chloro-2-(3,4-dihydroxy-5-nitrophenyl)sulfonyl-3-fluorobenzonitrile Traditional Name: 5-chloro-2-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-3-fluoro-benzonitrile Formula: C13H6ClFN2O6S MolecularWeight: 372.712943

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2C#N)Cl)F

Isomeric SMILES

C1=C(C=C(C(=C1O)O)[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2C#N)Cl)F

InChI

InChI=1S/C13H6ClFN2O6S/c14-7-1-6(5-16)13(9(15)2-7)24(22,23)8-3-10(17(20)21)12(19)11(18)4-8/h1-4,18-19H