5-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(2,5-dimethyl-3-thienyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(2,5-dimethyl-3-thiophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(2,5-dimethyl-3-thienyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)CC2C(=O)OC(OC2=O)(C)C

Isomeric SMILES

CC1=CC(=C(S1)C)CC2C(=O)OC(OC2=O)(C)C

InChI

InChI=1S/C13H16O4S/c1-7-5-9(8(2)18-7)6-10-11(14)16-13(3,4)17-12(10)15/h5,10H,6H2,1-4H3