Rose Bengal lactone

4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one

CAS: 4159-77-7

Molecular Formula	`C20H4Cl4I4O5`
Molecular Weight	973.7 g/mol
LogP	8.5
Topological Polar Surface Area	76.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	973.4962
Heavy Atoms	33
Complexity	780.0

Chemical Identifiers

CAS Number	4159-77-7
SMILES	`C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I`
InChIKey	`IICCLYANAQEHCI-UHFFFAOYSA-N`

📖 Product Overview

Rose Bengal lactone (CAS: 4159-77-7) is a chemical compound with molecular formula C20H4Cl4I4O5 and molecular weight 973.7 g/mol. Its IUPAC systematic name is 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one. LogP 8.5 Topological Polar Surface Area 76.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 0 Exact Mass 973.4962 Heavy Atoms 33 Complexity 780.0 InChI Key: IICCLYANAQEHCI-UHFFFAOYSA-N. SMILES: C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.

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