5-[6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-6-oxidanylidene-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-6-oxidanylidene-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-6-oxo-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[6-(4-chlorophenyl)-5-[4-(methylthio)phenyl]-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[6-(4-chlorophenyl)-6-keto-5-[4-(methylthio)phenyl]hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C25H29ClO5S MolecularWeight: 477.01276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCC(C2=CC=C(C=C2)SC)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCC(C2=CC=C(C=C2)SC)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C25H29ClO5S/c1-25(24(28)29)30-15-17(16-31-25)5-3-4-6-22(18-9-13-21(32-2)14-10-18)23(27)19-7-11-20(26)12-8-19/h7-14,17,22H,3-6,15-16H2,1-2H3,(H,28,29)