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

Systemtic Name: 2-methyl-5-(phenylmethyl)-1,3-dioxane-2-carboxylic acid Openeye Name: 5-benzyl-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 2-methyl-5-(phenylmethyl)-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-benzyl-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-benzyl-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H16O4/c1-13(12(14)15)16-8-11(9-17-13)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)