2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid IUPAC Name: 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1(COC(OC1)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H13ClO4/c1-12(11(14)15)6-16-10(17-7-12)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)