5-[(5R)-5-(2-chlorophenyl)-2-methyl-heptan-3-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(5R)-5-(2-chlorophenyl)-2-methyl-heptan-3-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(3R)-3-(2-chlorophenyl)-1-isopropyl-pentylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(5R)-5-(2-chlorophenyl)-2-methylheptan-3-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(5R)-5-(2-chlorophenyl)-2-methylheptan-3-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(3R)-3-(2-chlorophenyl)-1-isopropyl-pentylidene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C20H25ClO4 MolecularWeight: 364.8631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=C1C(=O)OC(OC1=O)(C)C)C(C)C)C2=CC=CC=C2Cl

Isomeric SMILES

CC[C@H](CC(=C1C(=O)OC(OC1=O)(C)C)C(C)C)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H25ClO4/c1-6-13(14-9-7-8-10-16(14)21)11-15(12(2)3)17-18(22)24-20(4,5)25-19(17)23/h7-10,12-13H,6,11H2,1-5H3/t13-/m1/s1