2,6-dimethylheptan-3-yl hydrogen sulfite

Systemtic Name: 2,6-dimethylheptan-3-yl hydrogen sulfite Openeye Name: (1-isopropyl-4-methyl-pentyl) hydrogen sulfite CAS Name: sulfurous acid 2,6-dimethylheptan-3-yl ester IUPAC Name: 2,6-dimethylheptan-3-yl hydrogen sulfite Traditional Name: sulfurous acid (1-isopropyl-4-methyl-pentyl) ester Formula: C9H20O3S MolecularWeight: 208.3183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)C)OS(=O)O

Isomeric SMILES

CC(C)CCC(C(C)C)OS(=O)O

InChI

InChI=1S/C9H20O3S/c1-7(2)5-6-9(8(3)4)12-13(10)11/h7-9H,5-6H2,1-4H3,(H,10,11)