3-chloranyl-2-methyl-6-nitro-benzenesulfonic acid

Systemtic Name: 3-chloranyl-2-methyl-6-nitro-benzenesulfonic acid Openeye Name: 3-chloro-2-methyl-6-nitro-benzenesulfonic acid CAS Name: 3-chloro-2-methyl-6-nitrobenzenesulfonic acid IUPAC Name: 3-chloro-2-methyl-6-nitrobenzenesulfonic acid Traditional Name: 3-chloro-2-methyl-6-nitro-besylic acid Formula: C7H6ClNO5S MolecularWeight: 251.64424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)O)[N+](=O)[O-])Cl

InChI

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