3-[(2-methoxy-4-methylsulfanyl-phenyl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[(2-methoxy-4-methylsulfanyl-phenyl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[hydroxy-(2-methoxy-4-methylsulfanyl-phenyl)methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[hydroxy-[2-methoxy-4-(methylthio)phenyl]methylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[hydroxy-(2-methoxy-4-methylsulfanylphenyl)methylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[hydroxy-[2-methoxy-4-(methylthio)phenyl]methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=C2C(=O)C3CCC(C3)C2=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=C2C(=O)C3CCC(C3)C2=O)O

InChI

InChI=1S/C17H18O4S/c1-21-13-8-11(22-2)5-6-12(13)17(20)14-15(18)9-3-4-10(7-9)16(14)19/h5-6,8-10,20H,3-4,7H2,1-2H3