(E)-5-(3-methylsulfonylphenyl)-3-oxidanylidene-2-(phenoxymethyl)pent-4-enoic acid

Systemtic Name: (E)-5-(3-methylsulfonylphenyl)-3-oxidanylidene-2-(phenoxymethyl)pent-4-enoic acid Openeye Name: (E)-5-(3-methylsulfonylphenyl)-3-oxo-2-(phenoxymethyl)pent-4-enoic acid CAS Name: (E)-5-(3-methylsulfonylphenyl)-3-oxo-2-(phenoxymethyl)-4-pentenoic acid IUPAC Name: (E)-5-(3-methylsulfonylphenyl)-3-oxo-2-(phenoxymethyl)pent-4-enoic acid Traditional Name: (E)-3-keto-5-(3-mesylphenyl)-2-(phenoxymethyl)pent-4-enoic acid Formula: C19H18O6S MolecularWeight: 374.40762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C=CC(=O)C(COC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)/C=C/C(=O)C(COC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H18O6S/c1-26(23,24)16-9-5-6-14(12-16)10-11-18(20)17(19(21)22)13-25-15-7-3-2-4-8-15/h2-12,17H,13H2,1H3,(H,21,22)/b11-10+