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2-methyl-5-[6-(4-methylsulfonyloxyphenyl)hexyl]-1,3-dioxane-2-carboxylic acid

2-methyl-5-[6-(4-methylsulfonyloxyphenyl)hexyl]-1,3-dioxane-2-carboxylic acid

Systemtic Name:2-methyl-5-[6-(4-methylsulfonyloxyphenyl)hexyl]-1,3-dioxane-2-carboxylic acid
Openeye Name:2-methyl-5-[6-(4-methylsulfonyloxyphenyl)hexyl]-1,3-dioxane-2-carboxylic acid
CAS Name:2-methyl-5-[6-(4-methylsulfonyloxyphenyl)hexyl]-1,3-dioxane-2-carboxylic acid
IUPAC Name:2-methyl-5-[6-(4-methylsulfonyloxyphenyl)hexyl]-1,3-dioxane-2-carboxylic acid
Traditional Name:2-methyl-5-[6-(4-methylsulfonyloxyphenyl)hexyl]-1,3-dioxane-2-carboxylic acid
Formula: C19H28O7S
MolecularWeight: 400.48642
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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O


Isomeric SMILES

CC1(OCC(CO1)CCCCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O


InChI

InChI=1S/C19H28O7S/c1-19(18(20)21)24-13-16(14-25-19)8-6-4-3-5-7-15-9-11-17(12-10-15)26-27(2,22)23/h9-12,16H,3-8,13-14H2,1-2H3,(H,20,21)


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