5-azanyl-2-[(3-sulfophenyl)amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(3-sulfophenyl)amino]benzenesulfonic acid Openeye Name: 5-amino-2-(3-sulfoanilino)benzenesulfonic acid CAS Name: 5-amino-2-(3-sulfoanilino)benzenesulfonic acid IUPAC Name: 5-amino-2-(3-sulfoanilino)benzenesulfonic acid Traditional Name: 5-amino-2-(3-sulfoanilino)besylic acid Formula: C12H12N2O6S2 MolecularWeight: 344.36348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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