2-[2-[5-(2-chloranyl-4-methylsulfanyl-phenoxy)-2-nitro-phenoxy]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[5-(2-chloranyl-4-methylsulfanyl-phenoxy)-2-nitro-phenoxy]phenoxy]ethanoic acid Openeye Name: 2-[2-[5-(2-chloro-4-methylsulfanyl-phenoxy)-2-nitro-phenoxy]phenoxy]acetic acid CAS Name: 2-[2-[5-[2-chloro-4-(methylthio)phenoxy]-2-nitrophenoxy]phenoxy]acetic acid IUPAC Name: 2-[2-[5-(2-chloro-4-methylsulfanylphenoxy)-2-nitrophenoxy]phenoxy]acetic acid Traditional Name: 2-[2-[5-[2-chloro-4-(methylthio)phenoxy]-2-nitro-phenoxy]phenoxy]acetic acid Formula: C21H16ClNO7S MolecularWeight: 461.87224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3OCC(=O)O)Cl

Isomeric SMILES

CSC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3OCC(=O)O)Cl

InChI

InChI=1S/C21H16ClNO7S/c1-31-14-7-9-17(15(22)11-14)29-13-6-8-16(23(26)27)20(10-13)30-19-5-3-2-4-18(19)28-12-21(24)25/h2-11H,12H2,1H3,(H,24,25)