[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenoxy)methylidene]inden-1-yl]methanesulfonic acid

Systemtic Name: [(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenoxy)methylidene]inden-1-yl]methanesulfonic acid Openeye Name: [(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenoxy)methylene]inden-1-yl]methanesulfonic acid CAS Name: [(3E)-6-fluoro-2-methyl-3-[[4-(methylthio)phenoxy]methylidene]-1-indenyl]methanesulfonic acid IUPAC Name: [(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenoxy)methylidene]inden-1-yl]methanesulfonic acid Traditional Name: [(3E)-6-fluoro-2-methyl-3-[[4-(methylthio)phenoxy]methylene]inden-1-yl]methanesulfonic acid Formula: C19H17FO4S2 MolecularWeight: 392.464283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=COC3=CC=C(C=C3)SC)C=CC(=C2)F)CS(=O)(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/OC3=CC=C(C=C3)SC)C=CC(=C2)F)CS(=O)(=O)O

InChI

InChI=1S/C19H17FO4S2/c1-12-18(10-24-14-4-6-15(25-2)7-5-14)16-8-3-13(20)9-17(16)19(12)11-26(21,22)23/h3-10H,11H2,1-2H3,(H,21,22,23)/b18-10+