(2E)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-5-oxidanylidene-hexanethioate

Systemtic Name: (2E)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-5-oxidanylidene-hexanethioate Openeye Name: (2E)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylene]-5-oxo-hexanethioate CAS Name: (2E)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-5-oxohexanethioate IUPAC Name: (2E)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-5-oxohexanethioate Traditional Name: (E)-3-(4-chlorophenyl)-2-(3-ketobutyl)-3-(4-mesylphenyl)thioacrylate Formula: C20H18ClO4S2- MolecularWeight: 421.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=C(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=C(C=C2)Cl)C(=S)[O-]

Isomeric SMILES

CC(=O)CC/C(=C(/C1=CC=C(C=C1)S(=O)(=O)C)\C2=CC=C(C=C2)Cl)/C(=S)[O-]

InChI

InChI=1S/C20H19ClO4S2/c1-13(22)3-12-18(20(23)26)19(14-4-8-16(21)9-5-14)15-6-10-17(11-7-15)27(2,24)25/h4-11H,3,12H2,1-2H3,(H,23,26)/p-1/b19-18-