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

Catalog Number

ACM94021882

Product Name

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

Structure

CAS

94021-88-2

Category

Heterocyclic Organic Compound

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+)

Molecular Weight

3237.938800 [g/mol]

Molecular Formula

C80H20Br16Cl16O20Zr

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

MSDS

COA

Spec Sheet