(2E)-2-[(5-chloranylthiophen-2-yl)methylidene]-4,4-dimethyl-cyclohexane-1,3-dione

Systemtic Name: (2E)-2-[(5-chloranylthiophen-2-yl)methylidene]-4,4-dimethyl-cyclohexane-1,3-dione Openeye Name: (2E)-2-[(5-chloro-2-thienyl)methylene]-4,4-dimethyl-cyclohexane-1,3-dione CAS Name: (2E)-2-[(5-chloro-2-thiophenyl)methylidene]-4,4-dimethylcyclohexane-1,3-dione IUPAC Name: (2E)-2-[(5-chlorothiophen-2-yl)methylidene]-4,4-dimethylcyclohexane-1,3-dione Traditional Name: (2E)-2-[(5-chloro-2-thienyl)methylene]-4,4-dimethyl-cyclohexane-1,3-quinone Formula: C13H13ClO2S MolecularWeight: 268.75912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(=CC2=CC=C(S2)Cl)C1=O)C

Isomeric SMILES

CC1(CCC(=O)/C(=C\C2=CC=C(S2)Cl)/C1=O)C

InChI

InChI=1S/C13H13ClO2S/c1-13(2)6-5-10(15)9(12(13)16)7-8-3-4-11(14)17-8/h3-4,7H,5-6H2,1-2H3/b9-7+