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Structure

8-Isothiocyanatopyrene-1,3,6-trisulfonic acid trisodium salt

CAS
51987-57-6
Catalog Number
ACM51987576
Category
Other Products
Molecular Weight
565.46
Molecular Formula
C17H6NNa3O9S4

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Specification

Synonyms
8-Isothiocyanatopyrene-1,3,6-trisulfonic acid trisodium salt, Trisodium 8-isothiocyanatopyrene-1,3,6-trisulfonate, 51987-57-6, 59818_FLUKA, 59818_SIGMA, CTK8F7416, AG-F-76700
IUPAC Name
trisodium;8-isothiocyanatopyrene-1,3,6-trisulfonate
Canonical SMILES
C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)N=C=S)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI Key
CRDTZOSAGFUIQI-UHFFFAOYSA-K
Exact Mass
564.86200
H-Bond Acceptor
11
H-Bond Donor
0
WGK Germany
3
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