2-(4,4-dimethyl-3-oxidanylidene-hex-5-enyl)-1,3-dithiane-2-carboxylic acid

Systemtic Name: 2-(4,4-dimethyl-3-oxidanylidene-hex-5-enyl)-1,3-dithiane-2-carboxylic acid Openeye Name: 2-(4,4-dimethyl-3-oxo-hex-5-enyl)-1,3-dithiane-2-carboxylic acid CAS Name: 2-(4,4-dimethyl-3-oxohex-5-enyl)-1,3-dithiane-2-carboxylic acid IUPAC Name: 2-(4,4-dimethyl-3-oxohex-5-enyl)-1,3-dithiane-2-carboxylic acid Traditional Name: 2-(3-keto-4,4-dimethyl-hex-5-enyl)-1,3-dithiane-2-carboxylic acid Formula: C13H20O3S2 MolecularWeight: 288.4261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)C(=O)CCC1(SCCCS1)C(=O)O

Isomeric SMILES

CC(C)(C=C)C(=O)CCC1(SCCCS1)C(=O)O

InChI

InChI=1S/C13H20O3S2/c1-4-12(2,3)10(14)6-7-13(11(15)16)17-8-5-9-18-13/h4H,1,5-9H2,2-3H3,(H,15,16)