3,5-dimethyl-4-nitroso-benzenesulfonic acid

Systemtic Name: 3,5-dimethyl-4-nitroso-benzenesulfonic acid Openeye Name: 3,5-dimethyl-4-nitroso-benzenesulfonic acid CAS Name: 3,5-dimethyl-4-nitrosobenzenesulfonic acid IUPAC Name: 3,5-dimethyl-4-nitrosobenzenesulfonic acid Traditional Name: 3,5-dimethyl-4-nitroso-besylic acid Formula: C8H9NO4S MolecularWeight: 215.22636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N=O)C)S(=O)(=O)O

InChI

InChI=1S/C8H9NO4S/c1-5-3-7(14(11,12)13)4-6(2)8(5)9-10/h3-4H,1-2H3,(H,11,12,13)