methyl 2-methyl-5-[4-(4-methylsulfonyloxyphenyl)butyl]-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-[4-(4-methylsulfonyloxyphenyl)butyl]-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-[4-(4-methylsulfonyloxyphenyl)butyl]-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[4-(4-methylsulfonyloxyphenyl)butyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[4-(4-methylsulfonyloxyphenyl)butyl]-1,3-dioxane-2-carboxylate Traditional Name: 2-methyl-5-[4-(4-methylsulfonyloxyphenyl)butyl]-1,3-dioxane-2-carboxylic acid methyl ester Formula: C18H26O7S MolecularWeight: 386.45984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)CCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H26O7S/c1-18(17(19)22-2)23-12-15(13-24-18)7-5-4-6-14-8-10-16(11-9-14)25-26(3,20)21/h8-11,15H,4-7,12-13H2,1-3H3