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

Systemtic Name: 5-[(2-ethynylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(2-ethynylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(2-ethynylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(2-ethynylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-(2-ethynylbenzyl)-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C15H14O4 MolecularWeight: 258.26926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CC2=CC=CC=C2C#C)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CC2=CC=CC=C2C#C)C

InChI

InChI=1S/C15H14O4/c1-4-10-7-5-6-8-11(10)9-12-13(16)18-15(2,3)19-14(12)17/h1,5-8,12H,9H2,2-3H3