6-[2,3-bis[(3-diazonio-2-oxidanidyl-4-oxidanylidene-chromen-6-yl)sulfonyloxy]-4-(phenylcarbonyl)phenoxy]sulfonyl-3-diazonio-4-oxidanylidene-chromen-2-olate

Systemtic Name: 6-[2,3-bis[(3-diazonio-2-oxidanidyl-4-oxidanylidene-chromen-6-yl)sulfonyloxy]-4-(phenylcarbonyl)phenoxy]sulfonyl-3-diazonio-4-oxidanylidene-chromen-2-olate Openeye Name: 6-[4-benzoyl-2,3-bis[(3-diazonio-2-oxido-4-oxo-chromen-6-yl)sulfonyloxy]phenoxy]sulfonyl-3-diazonio-4-oxo-chromen-2-olate CAS Name: 6-[4-benzoyl-2,3-bis[(3-diazonio-2-oxido-4-oxo-1-benzopyran-6-yl)sulfonyloxy]phenoxy]sulfonyl-3-diazonio-4-oxo-1-benzopyran-2-olate IUPAC Name: 6-[4-benzoyl-2,3-bis[(3-diazonio-2-oxido-4-oxochromen-6-yl)sulfonyloxy]phenoxy]sulfonyl-3-diazonio-4-oxochromen-2-olate Traditional Name: 6-[4-benzoyl-2,3-bis[(3-diazonio-4-keto-2-oxido-chromen-6-yl)sulfonyloxy]phenoxy]sulfonyl-3-diazonio-4-keto-chromen-2-olate Formula: C40H16N6O19S3 MolecularWeight: 980.77884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=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-])OS(=O)(=O)C7=CC8=C(C=C7)OC(=C(C8=O)[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=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-])OS(=O)(=O)C7=CC8=C(C=C7)OC(=C(C8=O)[N+]#N)[O-]

InChI

InChI=1S/C40H16N6O19S3/c41-44-29-33(48)22-14-18(6-10-25(22)60-38(29)51)66(54,55)63-28-13-9-21(32(47)17-4-2-1-3-5-17)36(64-67(56,57)19-7-11-26-23(15-19)34(49)30(45-42)39(52)61-26)37(28)65-68(58,59)20-8-12-27-24(16-20)35(50)31(46-43)40(53)62-27/h1-16H