(2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid

Systemtic Name: (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid Openeye Name: (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoic acid CAS Name: (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid IUPAC Name: (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid Traditional Name: (Z)-3-(4-bromophenyl)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylic acid Formula: C18H17BrO5S MolecularWeight: 425.29358

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(CCO)C(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CCO)/C(=O)O)/C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrO5S/c1-25(23,24)15-8-4-13(5-9-15)17(16(10-11-20)18(21)22)12-2-6-14(19)7-3-12/h2-9,20H,10-11H2,1H3,(H,21,22)/b17-16+