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Reference substances

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IUPAC name:
4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)

Inventory

EC number:
227-030-9
EC name:
4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
CAS number:
5610-94-6
CAS number:
5610-94-6

Synonyms

Molecular and structural information

Molecular formula:
C₄₃H₂₂N₆O₁₃S₃
Molecular weight:
ca. 926.86
SMILES notation:
O=C1c2cccc(c2C=C\C1=[N+]=[N-])S(=O)(=O)Oc7c(ccc(OS(=O)(=O)c4cccc3C(=O)C(=[N+]=[N-])/C=Cc34)c7OS(=O)(=O)c6cccc5c6C=C/C(=[N+]=[N-])C5=O)C(=O)c8ccccc8
InChl:
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
Structural formula:
Chemical structure

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