2-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]propanoic acid

Systemtic Name: 2-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]propanoic acid Openeye Name: 2-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]propanoic acid CAS Name: 2-[[3-nitro-1-(trichloromethyl)-1-cyclohexa-2,4-dienyl]disulfanyl]propanoic acid IUPAC Name: 2-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]propanoic acid Traditional Name: 2-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]propionic acid Formula: C10H10Cl3NO4S2 MolecularWeight: 378.6797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SSC1(CC=CC(=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CC(C(=O)O)SSC1(CC=CC(=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C10H10Cl3NO4S2/c1-6(8(15)16)19-20-9(10(11,12)13)4-2-3-7(5-9)14(17)18/h2-3,5-6H,4H2,1H3,(H,15,16)