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

Systemtic Name: 4-[2,3-bis[(3-diazonio-4-oxidanidyl-naphthalen-1-yl)sulfonyloxy]-4-(phenylcarbonyl)phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Openeye Name: 4-[4-benzoyl-2,3-bis[(3-diazonio-4-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 4-[4-benzoyl-2,3-bis[(3-diazonio-4-oxido-1-naphthalenyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 4-[4-benzoyl-2,3-bis[(3-diazonio-4-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 4-[4-benzoyl-2,3-bis[(3-diazonio-4-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C43H22N6O13S3 MolecularWeight: 926.86218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C3=CC(=C(C4=CC=CC=C43)[O-])[N+]#N)OS(=O)(=O)C5=CC(=C(C6=CC=CC=C65)[O-])[N+]#N)OS(=O)(=O)C7=CC(=C(C8=CC=CC=C87)[O-])[N+]#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C3=CC(=C(C4=CC=CC=C43)[O-])[N+]#N)OS(=O)(=O)C5=CC(=C(C6=CC=CC=C65)[O-])[N+]#N)OS(=O)(=O)C7=CC(=C(C8=CC=CC=C87)[O-])[N+]#N

InChI

InChI=1S/C43H22N6O13S3/c44-47-31-20-35(24-12-4-7-15-27(24)39(31)51)63(54,55)60-34-19-18-30(38(50)23-10-2-1-3-11-23)42(61-64(56,57)36-21-32(48-45)40(52)28-16-8-5-13-25(28)36)43(34)62-65(58,59)37-22-33(49-46)41(53)29-17-9-6-14-26(29)37/h1-22H