(2,6-dimethyl-1-oxidanyl-heptan-3-yl) hydrogen sulfite

Systemtic Name: (2,6-dimethyl-1-oxidanyl-heptan-3-yl) hydrogen sulfite Openeye Name: [1-(2-hydroxy-1-methyl-ethyl)-4-methyl-pentyl] hydrogen sulfite CAS Name: sulfurous acid (1-hydroxy-2,6-dimethylheptan-3-yl) ester IUPAC Name: (1-hydroxy-2,6-dimethylheptan-3-yl) hydrogen sulfite Traditional Name: sulfurous acid [1-(2-hydroxy-1-methyl-ethyl)-4-methyl-pentyl] ester Formula: C9H20O4S MolecularWeight: 224.3177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20O4S/c1-7(2)4-5-9(8(3)6-10)13-14(11)12/h7-10H,4-6H2,1-3H3,(H,11,12)