methyl 5-[3-(4-bromophenyl)sulfanylpropyl]-2-methyl-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 5-[3-(4-bromophenyl)sulfanylpropyl]-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-[3-(4-bromophenyl)sulfanylpropyl]-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-[3-[(4-bromophenyl)thio]propyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-(4-bromophenyl)sulfanylpropyl]-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-[3-[(4-bromophenyl)thio]propyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C16H21BrO4S MolecularWeight: 389.30454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCSC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)CCCSC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H21BrO4S/c1-16(15(18)19-2)20-10-12(11-21-16)4-3-9-22-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3