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

Systemtic Name: 3,5-bis(chloranyl)-4-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfonyl-benzenecarbonitrile Openeye Name: 3,5-dichloro-4-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-benzonitrile CAS Name: 3,5-dichloro-4-(3,4-dihydroxy-5-nitrophenyl)sulfonylbenzonitrile IUPAC Name: 3,5-dichloro-4-(3,4-dihydroxy-5-nitrophenyl)sulfonylbenzonitrile Traditional Name: 3,5-dichloro-4-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-benzonitrile Formula: C13H6Cl2N2O6S MolecularWeight: 389.16754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])O)O)Cl)C#N

Isomeric SMILES

C1=C(C=C(C(=C1Cl)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])O)O)Cl)C#N

InChI

InChI=1S/C13H6Cl2N2O6S/c14-8-1-6(5-16)2-9(15)13(8)24(22,23)7-3-10(17(20)21)12(19)11(18)4-7/h1-4,18-19H