5-[3-(1,3-benzodioxol-5-yl)propyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[3-(1,3-benzodioxol-5-yl)propyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[3-(1,3-benzodioxol-5-yl)propyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[3-(1,3-benzodioxol-5-yl)propyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[3-(1,3-benzodioxol-5-yl)propyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[3-(1,3-benzodioxol-5-yl)propyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C16H20O6/c1-16(15(17)18)21-8-12(9-22-16)4-2-3-11-5-6-13-14(7-11)20-10-19-13/h5-7,12H,2-4,8-10H2,1H3,(H,17,18)