2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]ethanoic acid

Systemtic Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]ethanoic acid Openeye Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]acetic acid CAS Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]acetic acid IUPAC Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]acetic acid Traditional Name: 2-[[4-nitro-2-(trichloromethyl)phenyl]disulfanyl]acetic acid Formula: C9H6Cl3NO4S2 MolecularWeight: 362.63724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(Cl)(Cl)Cl)SSCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(Cl)(Cl)Cl)SSCC(=O)O

InChI

InChI=1S/C9H6Cl3NO4S2/c10-9(11,12)6-3-5(13(16)17)1-2-7(6)19-18-4-8(14)15/h1-3H,4H2,(H,14,15)