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Reference substances

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IUPAC name:
trisodium;3-[5-carbamoyl-3-[(E)-[5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]azo]-2-hydroxy-4-methyl-6-oxo-1-pyridyl]propanoate

Inventory

CAS number:
371921-61-8

Synonyms

Molecular and structural information

Molecular formula:
Hill formula: C27 H23 Cl N9 Na3 O14 S3
CAS formula: C27 H26 Cl N9 O14 S3 · 3 Na
Molecular weight:
898.14
SMILES notation:
[Na+].[Na+].[Na+].CC1=C(C(=O)N)C(=O)N(CCC(=O)[O-])C(=C1N=Nc2cc(Nc3nc(Cl)nc(Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])n3)ccc2S(=O)(=O)[O-])O
Structural formula:
Chemical structure

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