2-[(4-aminophenyl)-(4-azanyl-2-sulfo-phenyl)amino]-5-azanyl-benzenesulfonic acid

Systemtic Name: 2-[(4-aminophenyl)-(4-azanyl-2-sulfo-phenyl)amino]-5-azanyl-benzenesulfonic acid Openeye Name: 5-amino-2-(4-amino-N-(4-amino-2-sulfo-phenyl)anilino)benzenesulfonic acid CAS Name: 5-amino-2-(4-amino-N-(4-amino-2-sulfophenyl)anilino)benzenesulfonic acid IUPAC Name: 5-amino-2-(4-amino-N-(4-amino-2-sulfophenyl)anilino)benzenesulfonic acid Traditional Name: 5-amino-2-(4-amino-N-(4-amino-2-sulfo-phenyl)anilino)besylic acid Formula: C18H18N4O6S2 MolecularWeight: 450.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)N(C2=C(C=C(C=C2)N)S(=O)(=O)O)C3=C(C=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)N(C2=C(C=C(C=C2)N)S(=O)(=O)O)C3=C(C=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O6S2/c19-11-1-5-14(6-2-11)22(15-7-3-12(20)9-17(15)29(23,24)25)16-8-4-13(21)10-18(16)30(26,27)28/h1-10H,19-21H2,(H,23,24,25)(H,26,27,28)