sodium (2-methanoyl-6-methyl-phenyl) hydrogen sulfite

Systemtic Name: sodium (2-methanoyl-6-methyl-phenyl) hydrogen sulfite Openeye Name: sodium (2-formyl-6-methyl-phenyl) hydrogen sulfite CAS Name: sodium sulfurous acid (2-formyl-6-methylphenyl) ester IUPAC Name: sodium (2-formyl-6-methylphenyl) hydrogen sulfite Traditional Name: sodium sulfurous acid (2-formyl-6-methyl-phenyl) ester Formula: C8H8NaO4S+ MolecularWeight: 223.20149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OS(=O)O)C=O.[Na+]

Isomeric SMILES

CC1=CC=CC(=C1OS(=O)O)C=O.[Na+]

InChI

InChI=1S/C8H8O4S.Na/c1-6-3-2-4-7(5-9)8(6)12-13(10)11;/h2-5H,1H3,(H,10,11);/q;+1