1,3-bis(chloranyl)-2-(4-nitro-3-propoxy-phenoxy)-5-(trifluoromethylsulfonyl)benzene

Systemtic Name: 1,3-bis(chloranyl)-2-(4-nitro-3-propoxy-phenoxy)-5-(trifluoromethylsulfonyl)benzene Openeye Name: 1,3-dichloro-2-(4-nitro-3-propoxy-phenoxy)-5-(trifluoromethylsulfonyl)benzene CAS Name: 1,3-dichloro-2-(4-nitro-3-propoxyphenoxy)-5-(trifluoromethylsulfonyl)benzene IUPAC Name: 1,3-dichloro-2-(4-nitro-3-propoxyphenoxy)-5-(trifluoromethylsulfonyl)benzene Traditional Name: 1,3-dichloro-2-(4-nitro-3-propoxy-phenoxy)-5-triflyl-benzene Formula: C16H12Cl2F3NO6S MolecularWeight: 474.23579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)S(=O)(=O)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)S(=O)(=O)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl2F3NO6S/c1-2-5-27-14-6-9(3-4-13(14)22(23)24)28-15-11(17)7-10(8-12(15)18)29(25,26)16(19,20)21/h3-4,6-8H,2,5H2,1H3