4-chloranyl-3-[[4-(sulfomethylamino)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-chloranyl-3-[[4-(sulfomethylamino)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-chloro-3-[4-(sulfomethylamino)phenyl]azo-benzenesulfonic acid CAS Name: 4-chloro-3-[4-(sulfomethylamino)phenyl]azobenzenesulfonic acid IUPAC Name: 4-chloro-3-[[4-(sulfomethylamino)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-chloro-3-[4-(sulfomethylamino)phenyl]azo-besylic acid Formula: C13H12ClN3O6S2 MolecularWeight: 405.83388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)O)N=NC2=C(C=CC(=C2)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)O)N=NC2=C(C=CC(=C2)S(=O)(=O)O)Cl

InChI

InChI=1S/C13H12ClN3O6S2/c14-12-6-5-11(25(21,22)23)7-13(12)17-16-10-3-1-9(2-4-10)15-8-24(18,19)20/h1-7,15H,8H2,(H,18,19,20)(H,21,22,23)