4-[(2-methyl-5-oxidanidyl-3-phenyl-1-benzofuran-4-yl)diazenyl]benzenesulfonate

Systemtic Name: 4-[(2-methyl-5-oxidanidyl-3-phenyl-1-benzofuran-4-yl)diazenyl]benzenesulfonate Openeye Name: 4-(2-methyl-5-oxido-3-phenyl-benzofuran-4-yl)azobenzenesulfonate CAS Name: 4-[(2-methyl-5-oxido-3-phenyl-4-benzofuranyl)azo]benzenesulfonate IUPAC Name: 4-[(2-methyl-5-oxido-3-phenyl-1-benzofuran-4-yl)diazenyl]benzenesulfonate Traditional Name: 4-(2-methyl-5-oxido-3-phenyl-benzofuran-4-yl)azobesylate Formula: C21H14N2O5S-2 MolecularWeight: 406.41126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)[O-])[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)[O-])[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O5S/c1-13-19(14-5-3-2-4-6-14)20-18(28-13)12-11-17(24)21(20)23-22-15-7-9-16(10-8-15)29(25,26)27/h2-12,24H,1H3,(H,25,26,27)/p-2