2-nitro-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-nitro-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-nitro-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-nitro-3-(phenylthio)-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-nitro-3-phenylsulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-nitro-3-(phenylthio)-5-(trifluoromethyl)benzoic acid Formula: C14H8F3NO4S MolecularWeight: 343.27783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=CC(=C2)C(F)(F)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=CC(=C2)C(F)(F)F)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H8F3NO4S/c15-14(16,17)8-6-10(13(19)20)12(18(21)22)11(7-8)23-9-4-2-1-3-5-9/h1-7H,(H,19,20)