4-[2-azanyl-3,4-bis(chloranyl)phenyl]sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-[2-azanyl-3,4-bis(chloranyl)phenyl]sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(2-amino-3,4-dichloro-phenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(2-amino-3,4-dichlorophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(2-amino-3,4-dichlorophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(2-amino-3,4-dichloro-phenyl)thio]-3-nitro-benzoic acid Formula: C13H8Cl2N2O4S MolecularWeight: 359.18462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=C(C(=C(C=C2)Cl)Cl)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=C(C(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C13H8Cl2N2O4S/c14-7-2-4-10(12(16)11(7)15)22-9-3-1-6(13(18)19)5-8(9)17(20)21/h1-5H,16H2,(H,18,19)