2,3-dimethyl-5-nitro-benzenesulfonic acid; sodium

Systemtic Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid; sodium Openeye Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid; sodium CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid; sodium IUPAC Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid; sodium Traditional Name: 2,3-dimethyl-5-nitro-besylic acid; sodium Formula: C8H9NNaO5S MolecularWeight: 254.21553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)O)[N+](=O)[O-].[Na]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)O)[N+](=O)[O-].[Na]

InChI

InChI=1S/C8H9NO5S.Na/c1-5-3-7(9(10)11)4-8(6(5)2)15(12,13)14;/h3-4H,1-2H3,(H,12,13,14);