2-azanyl-5-(methyldiazenyl)-3-[(4-sulfophenyl)diazenyl]-4-(trioxidanylsulfanylmethylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(methyldiazenyl)-3-[(4-sulfophenyl)diazenyl]-4-(trioxidanylsulfanylmethylamino)benzenesulfonic acid Openeye Name: 2-amino-5-methylazo-3-(4-sulfophenyl)azo-4-(trioxidanylsulfanylmethylamino)benzenesulfonic acid CAS Name: 2-amino-5-methylazo-3-(4-sulfophenyl)azo-4-[(trioxidanylthio)methylamino]benzenesulfonic acid IUPAC Name: 2-amino-5-(methyldiazenyl)-3-[(4-sulfophenyl)diazenyl]-4-(trioxidanylsulfanylmethylamino)benzenesulfonic acid Traditional Name: 2-amino-5-methylazo-3-(4-sulfophenyl)azo-4-[(trioxidanylthio)methylamino]besylic acid Formula: C14H16N6O9S3 MolecularWeight: 508.50664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=NC1=CC(=C(C(=C1NCSOOO)N=NC2=CC=C(C=C2)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CN=NC1=CC(=C(C(=C1NCSOOO)N=NC2=CC=C(C=C2)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C14H16N6O9S3/c1-16-19-10-6-11(32(25,26)27)12(15)14(13(10)17-7-30-29-28-21)20-18-8-2-4-9(5-3-8)31(22,23)24/h2-6,17,21H,7,15H2,1H3,(H,22,23,24)(H,25,26,27)