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

Systemtic Name: (2Z)-2-[(4-methylsulfonylphenyl)-naphthalen-2-yl-methylidene]-4-oxidanyl-butanoic acid Openeye Name: (2Z)-4-hydroxy-2-[(4-methylsulfonylphenyl)-(2-naphthyl)methylene]butanoic acid CAS Name: (2Z)-4-hydroxy-2-[(4-methylsulfonylphenyl)-(2-naphthalenyl)methylidene]butanoic acid IUPAC Name: (2Z)-4-hydroxy-2-[(4-methylsulfonylphenyl)-naphthalen-2-ylmethylidene]butanoic acid Traditional Name: (Z)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)-3-(2-naphthyl)acrylic acid Formula: C22H20O5S MolecularWeight: 396.4562

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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=CC3=CC=CC=C3C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CCO)/C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H20O5S/c1-28(26,27)19-10-8-16(9-11-19)21(20(12-13-23)22(24)25)18-7-6-15-4-2-3-5-17(15)14-18/h2-11,14,23H,12-13H2,1H3,(H,24,25)/b21-20-