(2,6-dimethyl-1-oxidanyl-heptan-2-yl) hydrogen sulfite

Systemtic Name: (2,6-dimethyl-1-oxidanyl-heptan-2-yl) hydrogen sulfite Openeye Name: [1-(hydroxymethyl)-1,5-dimethyl-hexyl] hydrogen sulfite CAS Name: sulfurous acid (1-hydroxy-2,6-dimethylheptan-2-yl) ester IUPAC Name: (1-hydroxy-2,6-dimethylheptan-2-yl) hydrogen sulfite Traditional Name: sulfurous acid (1,5-dimethyl-1-methylol-hexyl) ester Formula: C9H20O4S MolecularWeight: 224.3177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(CO)OS(=O)O

Isomeric SMILES

CC(C)CCCC(C)(CO)OS(=O)O

InChI

InChI=1S/C9H20O4S/c1-8(2)5-4-6-9(3,7-10)13-14(11)12/h8,10H,4-7H2,1-3H3,(H,11,12)