(2E)-2-[(4-methylsulfonylphenyl)-phenyl-methylidene]-4-oxidanyl-butanoate

Systemtic Name: (2E)-2-[(4-methylsulfonylphenyl)-phenyl-methylidene]-4-oxidanyl-butanoate Openeye Name: (2E)-4-hydroxy-2-[(4-methylsulfonylphenyl)-phenyl-methylene]butanoate CAS Name: (2E)-4-hydroxy-2-[(4-methylsulfonylphenyl)-phenylmethylidene]butanoate IUPAC Name: (2E)-4-hydroxy-2-[(4-methylsulfonylphenyl)-phenylmethylidene]butanoate Traditional Name: (E)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)-3-phenyl-acrylate Formula: C18H17O5S- MolecularWeight: 345.38958

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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=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CCO)/C(=O)[O-])/C2=CC=CC=C2

InChI

InChI=1S/C18H18O5S/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/h2-10,19H,11-12H2,1H3,(H,20,21)/p-1/b17-16+