(2E)-3,7-dimethylocta-2,6-dienal; sulfurous acid

Systemtic Name: (2E)-3,7-dimethylocta-2,6-dienal; sulfurous acid Openeye Name: (2E)-3,7-dimethylocta-2,6-dienal; sulfurous acid CAS Name: (2E)-3,7-dimethylocta-2,6-dienal; sulfurous acid IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienal; sulfurous acid Traditional Name: (2E)-3,7-dimethylocta-2,6-dienal; sulfurous acid Formula: C10H18O4S MolecularWeight: 234.31252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O.H2O3S/c1-9(2)5-4-6-10(3)7-8-11;1-4(2)3/h5,7-8H,4,6H2,1-3H3;(H2,1,2,3)/b10-7+;