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Structure

2-(2,4,5,7-Tetrabromo-3,6-dihydroxyxanthen-9-yl)-3,4,5,6-tetrachlorobenzoic acid,zirconium salt

CAS
94021-88-2
Catalog Number
ACM94021882
Category
Other Products
Molecular Weight
3237.938800 [g/mol]
Molecular Formula
C80H20Br16Cl16O20Zr

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Specification

Synonyms
EINECS 301-480-7, 2-(2,4,5,7-Tetrabromo-3,6-dihydroxyxanthen-9-yl)-3,4,5,6-tetrachlorobenzoic acid, zirconium salt, 94021-88-2
IUPAC Name
2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoate; zirconium(4+)
Canonical SMILES
C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[Zr+4]
InChI Key
SZPZWDSVCSNVGG-UHFFFAOYSA-J
EC Number
301-480-7
Exact Mass
3212.15000
H-Bond Acceptor
20
H-Bond Donor
8
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