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

Systemtic Name: 5-[2,3-bis[(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy]-5-propoxycarbonyl-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Openeye Name: 5-[2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]-5-propoxycarbonyl-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 5-[2,3-bis[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]-5-[oxo(propoxy)methyl]phenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-propoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 5-[2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]-5-propoxycarbonyl-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C40H24N6O14S3 MolecularWeight: 908.84536

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C40H24N6O14S3/c1-2-18-57-40(50)21-19-31(58-61(51,52)33-9-3-6-25-22(33)12-15-28(44-41)36(25)47)39(60-63(55,56)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)32(20-21)59-62(53,54)34-10-4-7-26-23(34)13-16-29(45-42)37(26)48/h3-17,19-20H,2,18H2,1H3