5-[2,4-bis(bromanyl)-3-(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy-6-(phenylcarbonyl)phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate

Systemtic Name: 5-[2,4-bis(bromanyl)-3-(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy-6-(phenylcarbonyl)phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Openeye Name: 5-[6-benzoyl-2,4-dibromo-3-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 5-[6-benzoyl-2,4-dibromo-3-[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 5-[6-benzoyl-2,4-dibromo-3-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 5-[6-benzoyl-2,4-dibromo-3-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C33H16Br2N4O9S2 MolecularWeight: 836.43954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)Br)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)Br)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N)Br

InChI

InChI=1S/C33H16Br2N4O9S2/c34-23-16-22(29(40)17-6-2-1-3-7-17)32(47-49(43,44)26-10-4-8-20-18(26)12-14-24(38-36)30(20)41)28(35)33(23)48-50(45,46)27-11-5-9-21-19(27)13-15-25(39-37)31(21)42/h1-16H