2-[(2-chloranyl-4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(2-chloranyl-4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2-chloro-4-methoxy-3-methyl-phenyl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methoxy-3-methylphenyl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-chloro-4-methoxy-3-methylphenyl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-chloro-4-methoxy-3-methyl-phenyl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H19ClO4 MolecularWeight: 322.78336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)C(=C2C(=O)CC(CC2=O)(C)C)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1Cl)C(=C2C(=O)CC(CC2=O)(C)C)O)OC

InChI

InChI=1S/C17H19ClO4/c1-9-13(22-4)6-5-10(15(9)18)16(21)14-11(19)7-17(2,3)8-12(14)20/h5-6,21H,7-8H2,1-4H3