(4E)-4-[methoxy(oxidanyl)methylidene]-5-(1-methylsulfanylcyclobutyl)cyclohexane-1,3-dione

Systemtic Name: (4E)-4-[methoxy(oxidanyl)methylidene]-5-(1-methylsulfanylcyclobutyl)cyclohexane-1,3-dione Openeye Name: (4E)-4-[hydroxy(methoxy)methylene]-5-(1-methylsulfanylcyclobutyl)cyclohexane-1,3-dione CAS Name: (4E)-4-[hydroxy(methoxy)methylidene]-5-[1-(methylthio)cyclobutyl]cyclohexane-1,3-dione IUPAC Name: (4E)-4-[hydroxy(methoxy)methylidene]-5-(1-methylsulfanylcyclobutyl)cyclohexane-1,3-dione Traditional Name: (4E)-4-[hydroxy(methoxy)methylene]-5-[1-(methylthio)cyclobutyl]cyclohexane-1,3-quinone Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C(CC(=O)CC1=O)C2(CCC2)SC)O

Isomeric SMILES

CO/C(=C/1\C(CC(=O)CC1=O)C2(CCC2)SC)/O

InChI

InChI=1S/C13H18O4S/c1-17-12(16)11-9(6-8(14)7-10(11)15)13(18-2)4-3-5-13/h9,16H,3-7H2,1-2H3/b12-11+