potassium 2-methyl-5-nitro-benzenesulfonic acid

Systemtic Name: potassium 2-methyl-5-nitro-benzenesulfonic acid Openeye Name: potassium 2-methyl-5-nitro-benzenesulfonic acid CAS Name: potassium 2-methyl-5-nitrobenzenesulfonic acid IUPAC Name: potassium 2-methyl-5-nitrobenzenesulfonic acid Traditional Name: potassium 2-methyl-5-nitro-besylic acid Formula: C7H7KNO5S+ MolecularWeight: 256.29748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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