2-(2-chlorophenyl)-5-[2-(3-methoxy-3-oxidanylidene-propyl)phenyl]-1,3-dioxane-4-carboxylic acid

Systemtic Name: 2-(2-chlorophenyl)-5-[2-(3-methoxy-3-oxidanylidene-propyl)phenyl]-1,3-dioxane-4-carboxylic acid Openeye Name: 2-(2-chlorophenyl)-5-[2-(3-methoxy-3-oxo-propyl)phenyl]-1,3-dioxane-4-carboxylic acid CAS Name: 2-(2-chlorophenyl)-5-[2-(3-methoxy-3-oxopropyl)phenyl]-1,3-dioxane-4-carboxylic acid IUPAC Name: 2-(2-chlorophenyl)-5-[2-(3-methoxy-3-oxopropyl)phenyl]-1,3-dioxane-4-carboxylic acid Traditional Name: 2-(2-chlorophenyl)-5-[2-(3-keto-3-methoxy-propyl)phenyl]-1,3-dioxane-4-carboxylic acid Formula: C21H21ClO6 MolecularWeight: 404.84084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1C2COC(OC2C(=O)O)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C2COC(OC2C(=O)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClO6/c1-26-18(23)11-10-13-6-2-3-7-14(13)16-12-27-21(28-19(16)20(24)25)15-8-4-5-9-17(15)22/h2-9,16,19,21H,10-12H2,1H3,(H,24,25)