3-methylpentanedial; sulfurous acid

Systemtic Name: 3-methylpentanedial; sulfurous acid Openeye Name: 3-methylpentanedial; sulfurous acid CAS Name: 3-methylpentanedial; sulfurous acid IUPAC Name: 3-methylpentanedial; sulfurous acid Traditional Name: 3-methylglutaraldehyde; sulfurous acid Formula: C6H12O5S MolecularWeight: 196.22148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)CC=O.OS(=O)O

Isomeric SMILES

CC(CC=O)CC=O.OS(=O)O

InChI

InChI=1S/C6H10O2.H2O3S/c1-6(2-4-7)3-5-8;1-4(2)3/h4-6H,2-3H2,1H3;(H2,1,2,3)