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

Systemtic Name: 2-diazonio-5-[2-(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy-3-oxidanyl-4-(phenylcarbonyl)phenoxy]sulfonyl-naphthalen-1-olate Openeye Name: 5-[4-benzoyl-2-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]-3-hydroxy-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 5-[4-benzoyl-2-[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]-3-hydroxyphenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 5-[4-benzoyl-2-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy-3-hydroxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 5-[4-benzoyl-2-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]-3-hydroxy-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C33H18N4O10S2 MolecularWeight: 694.64682

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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=CC=CC4=C3C=CC(=C4[O-])[N+]#N)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N)O

Isomeric SMILES

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

InChI

InChI=1S/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)39)8-4-10-27(19)48(42,43)46-26-17-14-23(29(38)18-6-2-1-3-7-18)32(41)33(26)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)40/h1-17H,(H-2,38,39,40,41)