2-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-5-oxidanyl-terephthalic acid

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-5-oxidanyl-terephthalic acid Openeye Name: 2-hydroxy-5-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid CAS Name: 2-hydroxy-5-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid IUPAC Name: 2-hydroxy-5-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid Traditional Name: 2-hydroxy-5-(2-nitro-4-triflyl-phenoxy)terephthalic acid Formula: C15H8F3NO10S MolecularWeight: 451.28493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC2=CC(=C(C=C2C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC2=CC(=C(C=C2C(=O)O)O)C(=O)O

InChI

InChI=1S/C15H8F3NO10S/c16-15(17,18)30(27,28)6-1-2-11(9(3-6)19(25)26)29-12-5-7(13(21)22)10(20)4-8(12)14(23)24/h1-5,20H,(H,21,22)(H,23,24)