(4-fluorophenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (4-fluorophenyl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (4-fluorophenyl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (4-fluorobenzyl) ester Formula: C22H16FNO5S MolecularWeight: 425.429543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H16FNO5S/c1-30-20-11-8-15(12-19(20)24(27)28)21(25)17-4-2-3-5-18(17)22(26)29-13-14-6-9-16(23)10-7-14/h2-12H,13H2,1H3