(2E)-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid

Systemtic Name: (2E)-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid Openeye Name: (2E)-4-hydroxy-2-[(4-methylsulfonylphenyl)-(m-tolyl)methylene]butanoic acid CAS Name: (2E)-4-hydroxy-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]butanoic acid IUPAC Name: (2E)-4-hydroxy-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]butanoic acid Traditional Name: (E)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)-3-(m-tolyl)acrylic acid Formula: C19H20O5S MolecularWeight: 360.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=C(CCO)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)/C(=C(\CCO)/C(=O)O)/C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H20O5S/c1-13-4-3-5-15(12-13)18(17(10-11-20)19(21)22)14-6-8-16(9-7-14)25(2,23)24/h3-9,12,20H,10-11H2,1-2H3,(H,21,22)/b18-17+