3-diazonio-6-[4-[4-(3-diazonio-2-oxidanidyl-4-oxidanylidene-chromen-6-yl)sulfonyloxyphenyl]carbonylphenoxy]sulfonyl-4-oxidanylidene-chromen-2-olate

Systemtic Name: 3-diazonio-6-[4-[4-(3-diazonio-2-oxidanidyl-4-oxidanylidene-chromen-6-yl)sulfonyloxyphenyl]carbonylphenoxy]sulfonyl-4-oxidanylidene-chromen-2-olate Openeye Name: 3-diazonio-6-[4-[4-(3-diazonio-2-oxido-4-oxo-chromen-6-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-4-oxo-chromen-2-olate CAS Name: 3-diazonio-6-[4-[[4-[(3-diazonio-2-oxido-4-oxo-1-benzopyran-6-yl)sulfonyloxy]phenyl]-oxomethyl]phenoxy]sulfonyl-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-diazonio-6-[4-[4-(3-diazonio-2-oxido-4-oxochromen-6-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-4-oxochromen-2-olate Traditional Name: 3-diazonio-6-[4-[4-(3-diazonio-4-keto-2-oxido-chromen-6-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-4-keto-chromen-2-olate Formula: C31H14N4O13S2 MolecularWeight: 714.59186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=C(C4=O)[N+]#N)[O-])OS(=O)(=O)C5=CC6=C(C=C5)OC(=C(C6=O)[N+]#N)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=C(C4=O)[N+]#N)[O-])OS(=O)(=O)C5=CC6=C(C=C5)OC(=C(C6=O)[N+]#N)[O-]

InChI

InChI=1S/C31H14N4O13S2/c32-34-25-28(37)21-13-19(9-11-23(21)45-30(25)39)49(41,42)47-17-5-1-15(2-6-17)27(36)16-3-7-18(8-4-16)48-50(43,44)20-10-12-24-22(14-20)29(38)26(35-33)31(40)46-24/h1-14H