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

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

Systemtic Name:2-methyl-5-[4-(4-methylsulfinylphenyl)butyl]-1,3-dioxane-2-carboxylic acid
Openeye Name:2-methyl-5-[4-(4-methylsulfinylphenyl)butyl]-1,3-dioxane-2-carboxylic acid
CAS Name:2-methyl-5-[4-(4-methylsulfinylphenyl)butyl]-1,3-dioxane-2-carboxylic acid
IUPAC Name:2-methyl-5-[4-(4-methylsulfinylphenyl)butyl]-1,3-dioxane-2-carboxylic acid
Traditional Name:2-methyl-5-[4-(4-methylsulfinylphenyl)butyl]-1,3-dioxane-2-carboxylic acid
Formula: C17H24O5S
MolecularWeight: 340.43446
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H24O5S/c1-17(16(18)19)21-11-14(12-22-17)6-4-3-5-13-7-9-15(10-8-13)23(2)20/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)


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