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

Systemtic Name: 5-[2,3-bis[(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy]-5-ethoxycarbonyl-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Openeye Name: 5-[2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]-5-ethoxycarbonyl-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 5-[2,3-bis[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]-5-ethoxycarbonylphenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-ethoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 5-[5-carbethoxy-2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C39H22N6O14S3 MolecularWeight: 894.81878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N)OS(=O)(=O)C4=CC=CC5=C4C=CC(=C5[O-])[N+]#N)OS(=O)(=O)C6=CC=CC7=C6C=CC(=C7[O-])[N+]#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N)OS(=O)(=O)C4=CC=CC5=C4C=CC(=C5[O-])[N+]#N)OS(=O)(=O)C6=CC=CC7=C6C=CC(=C7[O-])[N+]#N

InChI

InChI=1S/C39H22N6O14S3/c1-2-56-39(49)20-18-30(57-60(50,51)32-9-3-6-24-21(32)12-15-27(43-40)35(24)46)38(59-62(54,55)34-11-5-8-26-23(34)14-17-29(45-42)37(26)48)31(19-20)58-61(52,53)33-10-4-7-25-22(33)13-16-28(44-41)36(25)47/h3-19H,2H2,1H3