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

Systemtic Name: 5-[2,3-bis[(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy]-5-pentoxycarbonyl-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Openeye Name: 5-[2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]-5-pentoxycarbonyl-phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate CAS Name: 5-[2,3-bis[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]-5-[oxo(pentoxy)methyl]phenoxy]sulfonyl-2-diazonio-1-naphthalenolate IUPAC Name: 5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-pentoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate Traditional Name: 5-[5-amoxycarbonyl-2,3-bis[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate Formula: C42H28N6O14S3 MolecularWeight: 936.89852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=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

CCCCCOC(=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/C42H28N6O14S3/c1-2-3-4-20-59-42(52)23-21-33(60-63(53,54)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)41(62-65(57,58)37-13-7-10-29-26(37)16-19-32(48-45)40(29)51)34(22-23)61-64(55,56)36-12-6-9-28-25(36)15-18-31(47-44)39(28)50/h5-19,21-22H,2-4,20H2,1H3