2-methyl-5-[4-(4-methylsulfonylphenyl)butyl]-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-methyl-5-[4-(4-methylsulfonylphenyl)butyl]-1,3-dioxane-2-carboxylic acid Openeye Name: 2-methyl-5-[4-(4-methylsulfonylphenyl)butyl]-1,3-dioxane-2-carboxylic acid CAS Name: 2-methyl-5-[4-(4-methylsulfonylphenyl)butyl]-1,3-dioxane-2-carboxylic acid IUPAC Name: 2-methyl-5-[4-(4-methylsulfonylphenyl)butyl]-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[4-(4-mesylphenyl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C17H24O6S MolecularWeight: 356.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCC2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCC2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H24O6S/c1-17(16(18)19)22-11-14(12-23-17)6-4-3-5-13-7-9-15(10-8-13)24(2,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)