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

Systemtic Name: 5-[3-(4-bromophenyl)sulfanylpropyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[3-(4-bromophenyl)sulfanylpropyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[3-[(4-bromophenyl)thio]propyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[3-(4-bromophenyl)sulfanylpropyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[3-[(4-bromophenyl)thio]propyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C15H19BrO4S MolecularWeight: 375.27796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrO4S/c1-15(14(17)18)19-9-11(10-20-15)3-2-8-21-13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)