2-[2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-cyclohexen-1-yl]ethanethial

Systemtic Name: 2-[2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-cyclohexen-1-yl]ethanethial Openeye Name: 2-[2-(2-chloro-4-methylsulfonyl-benzoyl)-3-oxo-cyclohexen-1-yl]ethanethial CAS Name: 2-[2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-3-oxo-1-cyclohexenyl]ethanethial IUPAC Name: 2-[2-(2-chloro-4-methylsulfonylbenzoyl)-3-oxocyclohexen-1-yl]ethanethial Traditional Name: 2-[2-(2-chloro-4-mesyl-benzoyl)-3-keto-cyclohexen-1-yl]thioacetaldehyde Formula: C16H15ClO4S2 MolecularWeight: 370.8709

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(CCCC2=O)CC=S)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(CCCC2=O)CC=S)Cl

InChI

InChI=1S/C16H15ClO4S2/c1-23(20,21)11-5-6-12(13(17)9-11)16(19)15-10(7-8-22)3-2-4-14(15)18/h5-6,8-9H,2-4,7H2,1H3