2-[[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonic acid Openeye Name: 5-nitro-2-[4-[4-(p-tolylsulfonyloxy)phenyl]azoanilino]benzenesulfonic acid CAS Name: 2-[4-[4-(4-methylphenyl)sulfonyloxyphenyl]azoanilino]-5-nitrobenzenesulfonic acid IUPAC Name: 2-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonic acid Traditional Name: 5-nitro-2-[4-(4-tosyloxyphenyl)azoanilino]besylic acid Formula: C25H20N4O8S2 MolecularWeight: 568.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C25H20N4O8S2/c1-17-2-13-23(14-3-17)39(35,36)37-22-11-8-20(9-12-22)28-27-19-6-4-18(5-7-19)26-24-15-10-21(29(30)31)16-25(24)38(32,33)34/h2-16,26H,1H3,(H,32,33,34)