(2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid

Systemtic Name: (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid Openeye Name: (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoic acid CAS Name: (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid IUPAC Name: (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid Traditional Name: (E)-3-cyclohexyl-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylic acid Formula: C18H24O5S MolecularWeight: 352.44516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(CCO)C(=O)O)C2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CCO)/C(=O)O)/C2CCCCC2

InChI

InChI=1S/C18H24O5S/c1-24(22,23)15-9-7-14(8-10-15)17(13-5-3-2-4-6-13)16(11-12-19)18(20)21/h7-10,13,19H,2-6,11-12H2,1H3,(H,20,21)/b17-16+