2-azanyl-5-[(4-sulfophenyl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(4-sulfophenyl)amino]benzenesulfonic acid Openeye Name: 2-amino-5-(4-sulfoanilino)benzenesulfonic acid CAS Name: 2-amino-5-(4-sulfoanilino)benzenesulfonic acid IUPAC Name: 2-amino-5-(4-sulfoanilino)benzenesulfonic acid Traditional Name: 2-amino-5-(4-sulfoanilino)besylic acid Formula: C12H12N2O6S2 MolecularWeight: 344.36348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O6S2/c13-11-6-3-9(7-12(11)22(18,19)20)14-8-1-4-10(5-2-8)21(15,16)17/h1-7,14H,13H2,(H,15,16,17)(H,18,19,20)