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

Systemtic Name: 5-[2,3-bis[(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy]-4-(phenylcarbonyl)phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Openeye Name: 5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C43H22N6O13S3 MolecularWeight: 926.86218

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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)OS(=O)(=O)C7=CC=CC8=C7C=CC(=C8[O-])[N+]#N

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)OS(=O)(=O)C7=CC=CC8=C7C=CC(=C8[O-])[N+]#N

InChI

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