4-(3-oxidanylidene-1,4-dithiepan-2-yl)butanal

Systemtic Name: 4-(3-oxidanylidene-1,4-dithiepan-2-yl)butanal Openeye Name: 4-(3-oxo-1,4-dithiepan-2-yl)butanal CAS Name: 4-(3-oxo-1,4-dithiepan-2-yl)butanal IUPAC Name: 4-(3-oxo-1,4-dithiepan-2-yl)butanal Traditional Name: 4-(3-keto-1,4-dithiepan-2-yl)butyraldehyde Formula: C9H14O2S2 MolecularWeight: 218.33626

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C(=O)SC1)CCCC=O

Isomeric SMILES

C1CSC(C(=O)SC1)CCCC=O

InChI

InChI=1S/C9H14O2S2/c10-5-2-1-4-8-9(11)13-7-3-6-12-8/h5,8H,1-4,6-7H2