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

Systemtic Name: methyl 5-[6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-6-oxidanylidene-hexyl]-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-[6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-6-oxo-hexyl]-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-[6-(4-chlorophenyl)-5-[4-(methylthio)phenyl]-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-[6-(4-chlorophenyl)-6-keto-5-[4-(methylthio)phenyl]hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C26H31ClO5S MolecularWeight: 491.03934

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClO5S/c1-26(25(29)30-2)31-16-18(17-32-26)6-4-5-7-23(19-10-14-22(33-3)15-11-19)24(28)20-8-12-21(27)13-9-20/h8-15,18,23H,4-7,16-17H2,1-3H3