sodium 4-methyl-3-nitro-benzenesulfonic acid

Systemtic Name: sodium 4-methyl-3-nitro-benzenesulfonic acid Openeye Name: sodium 4-methyl-3-nitro-benzenesulfonic acid CAS Name: sodium 4-methyl-3-nitrobenzenesulfonic acid IUPAC Name: sodium 4-methyl-3-nitrobenzenesulfonic acid Traditional Name: sodium 4-methyl-3-nitro-besylic acid Formula: C7H7NNaO5S+ MolecularWeight: 240.18895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C7H7NO5S.Na/c1-5-2-3-6(14(11,12)13)4-7(5)8(9)10;/h2-4H,1H3,(H,11,12,13);/q;+1