2-[4-(4-azanyl-3-sulfo-phenyl)phenyl]benzo[e]benzotriazole-6,8-disulfonic acid

Systemtic Name: 2-[4-(4-azanyl-3-sulfo-phenyl)phenyl]benzo[e]benzotriazole-6,8-disulfonic acid Openeye Name: 2-[4-(4-amino-3-sulfo-phenyl)phenyl]benzo[e]benzotriazole-6,8-disulfonic acid CAS Name: 2-[4-(4-amino-3-sulfophenyl)phenyl]benzo[e]benzotriazole-6,8-disulfonic acid IUPAC Name: 2-[4-(4-amino-3-sulfophenyl)phenyl]benzo[e]benzotriazole-6,8-disulfonic acid Traditional Name: 2-[4-(4-amino-3-sulfo-phenyl)phenyl]benzo[e]benzotriazole-6,8-disulfonic acid Formula: C22H16N4O9S3 MolecularWeight: 576.57884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)N)S(=O)(=O)O)N3N=C4C=CC5=C(C=C(C=C5C4=N3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)N)S(=O)(=O)O)N3N=C4C=CC5=C(C=C(C=C5C4=N3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H16N4O9S3/c23-18-7-3-13(9-21(18)38(33,34)35)12-1-4-14(5-2-12)26-24-19-8-6-16-17(22(19)25-26)10-15(36(27,28)29)11-20(16)37(30,31)32/h1-11H,23H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)