5-[2-(3-oxidanylidenepropyl)-1,3-dithian-2-yl]pentanal

Systemtic Name: 5-[2-(3-oxidanylidenepropyl)-1,3-dithian-2-yl]pentanal Openeye Name: 5-[2-(3-oxopropyl)-1,3-dithian-2-yl]pentanal CAS Name: 5-[2-(3-oxopropyl)-1,3-dithian-2-yl]pentanal IUPAC Name: 5-[2-(3-oxopropyl)-1,3-dithian-2-yl]pentanal Traditional Name: 5-[2-(3-ketopropyl)-1,3-dithian-2-yl]valeraldehyde Formula: C12H20O2S2 MolecularWeight: 260.416

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CCCCC=O)CCC=O

Isomeric SMILES

C1CSC(SC1)(CCCCC=O)CCC=O

InChI

InChI=1S/C12H20O2S2/c13-8-3-1-2-6-12(7-4-9-14)15-10-5-11-16-12/h8-9H,1-7,10-11H2