2-azanyl-5-(4-azanyl-3-sulfo-phenyl)sulfanyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(4-azanyl-3-sulfo-phenyl)sulfanyl-benzenesulfonic acid Openeye Name: 2-amino-5-(4-amino-3-sulfo-phenyl)sulfanyl-benzenesulfonic acid CAS Name: 2-amino-5-[(4-amino-3-sulfophenyl)thio]benzenesulfonic acid IUPAC Name: 2-amino-5-(4-amino-3-sulfophenyl)sulfanylbenzenesulfonic acid Traditional Name: 2-amino-5-[(4-amino-3-sulfo-phenyl)thio]besylic acid Formula: C12H12N2O6S3 MolecularWeight: 376.42848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C12H12N2O6S3/c13-9-3-1-7(5-11(9)22(15,16)17)21-8-2-4-10(14)12(6-8)23(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)