5-chloranyl-4-methyl-2-nitro-benzenesulfonic acid

Systemtic Name: 5-chloranyl-4-methyl-2-nitro-benzenesulfonic acid Openeye Name: 5-chloro-4-methyl-2-nitro-benzenesulfonic acid CAS Name: 5-chloro-4-methyl-2-nitrobenzenesulfonic acid IUPAC Name: 5-chloro-4-methyl-2-nitrobenzenesulfonic acid Traditional Name: 5-chloro-4-methyl-2-nitro-besylic acid Formula: C7H6ClNO5S MolecularWeight: 251.64424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H6ClNO5S/c1-4-2-6(9(10)11)7(3-5(4)8)15(12,13)14/h2-3H,1H3,(H,12,13,14)