4-chloranyl-2-methyl-5-methylsulfonyl-3-nitro-benzoic acid

Systemtic Name: 4-chloranyl-2-methyl-5-methylsulfonyl-3-nitro-benzoic acid Openeye Name: 4-chloro-2-methyl-5-methylsulfonyl-3-nitro-benzoic acid CAS Name: 4-chloro-2-methyl-5-methylsulfonyl-3-nitrobenzoic acid IUPAC Name: 4-chloro-2-methyl-5-methylsulfonyl-3-nitrobenzoic acid Traditional Name: 4-chloro-5-mesyl-2-methyl-3-nitro-benzoic acid Formula: C9H8ClNO6S MolecularWeight: 293.68092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H8ClNO6S/c1-4-5(9(12)13)3-6(18(2,16)17)7(10)8(4)11(14)15/h3H,1-2H3,(H,12,13)