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

Systemtic Name: 5-[3-(6-diazo-5-methylidene-naphthalen-1-yl)sulfonyloxy-2-(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy-6-(phenylcarbonyl)phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Openeye Name: 5-[6-benzoyl-3-[(6-diazo-5-methylene-1-naphthyl)sulfonyloxy]-2-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 5-[6-benzoyl-3-[(6-diazo-5-methylene-1-naphthalenyl)sulfonyloxy]-2-[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 5-[6-benzoyl-3-(6-diazo-5-methylidenenaphthalen-1-yl)sulfonyloxy-2-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 5-[6-benzoyl-3-[(6-diazo-5-methylene-1-naphthyl)sulfonyloxy]-2-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C44H24N6O12S3 MolecularWeight: 924.88936

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=C(C=CC1=[N+]=[N-])C(=CC=C2)S(=O)(=O)OC3=C(C(=C(C=C3)C(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N)OS(=O)(=O)C7=CC=CC8=C7C=CC(=C8[O-])[N+]#N

Isomeric SMILES

C=C1C2=C(C=CC1=[N+]=[N-])C(=CC=C2)S(=O)(=O)OC3=C(C(=C(C=C3)C(=O)C4=CC=CC=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N)OS(=O)(=O)C7=CC=CC8=C7C=CC(=C8[O-])[N+]#N

InChI

InChI=1S/C44H24N6O12S3/c1-24-26-10-5-13-37(27(26)16-20-33(24)48-45)63(54,55)60-36-23-19-32(40(51)25-8-3-2-4-9-25)43(61-64(56,57)38-14-6-11-30-28(38)17-21-34(49-46)41(30)52)44(36)62-65(58,59)39-15-7-12-31-29(39)18-22-35(50-47)42(31)53/h2-23H,1H2