5-(2-chloranyl-3-methyl-phenyl)sulfonyl-3-nitro-benzene-1,2-diol

Systemtic Name: 5-(2-chloranyl-3-methyl-phenyl)sulfonyl-3-nitro-benzene-1,2-diol Openeye Name: 5-(2-chloro-3-methyl-phenyl)sulfonyl-3-nitro-benzene-1,2-diol CAS Name: 5-(2-chloro-3-methylphenyl)sulfonyl-3-nitrobenzene-1,2-diol IUPAC Name: 5-(2-chloro-3-methylphenyl)sulfonyl-3-nitrobenzene-1,2-diol Traditional Name: 5-(2-chloro-3-methyl-phenyl)sulfonyl-3-nitro-pyrocatechol Formula: C13H10ClNO6S MolecularWeight: 343.7396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])O)O)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])O)O)Cl

InChI

InChI=1S/C13H10ClNO6S/c1-7-3-2-4-11(12(7)14)22(20,21)8-5-9(15(18)19)13(17)10(16)6-8/h2-6,16-17H,1H3