161338-87-0 , 5(6)-Carboxyeosin diacetate

161338-87-0 , 5(6)-Carboxyeosin diacetate
C25H12Br4O9 / 775.97

5(6)-Carboxyeosin diacetate

Brominated analog of carboxyfluorescein; singlet oxygen generator

CAS Number	161338-87-0
Product Name	5(6)-Carboxyeosin-diacetate
IUPAC Name	3/',6/'-diacetyloxy-2/',4/',5/',7/'-tetrabromo-1-oxospiro[2-benzofuran-3,9/'-xanthene]-5-carboxylic acid;3/',6/'-diacetyloxy-2/',4/',5/',7/'-tetrabromo-3-oxospiro[2-benzofuran-1,9/'-xanthene]-5-carboxylic acid
Molecular Formula	C50H24Br8O18
Molecular Weight	1551.9 g/mol
InChI	InChI=1S/2C25H12Br4O9/c1-8(30)35-21-15(26)6-13-19(17(21)28)37-20-14(7-16(27)22(18(20)29)36-9(2)31)25(13)12-4-3-10(23(32)33)5-11(12)24(34)38-25;1-8(30)35-21-15(26)6-13-19(17(21)28)37-20-14(7-16(27)22(18(20)29)36-9(2)31)25(13)12-5-10(23(32)33)3-4-11(12)24(34)38-25/h2*3-7H,1-2H3,(H,32,33)
InChI Key	VUSZJWOKNYZNPK-UHFFFAOYSA-N
SMILES	CC(=O)OC1=C(C=C2C(=C1Br)OC3=C(C(=C(C=C3C24C5=C(C=C(C=C5)C(=O)O)C(=O)O4)Br)OC(=O)C)Br)Br.CC(=O)OC1=C(C=C2C(=C1Br)OC3=C(C(=C(C=C3C24C5=C(C=CC(=C5)C(=O)O)C(=O)O4)Br)OC(=O)C)Br)Br
Canonical SMILES	CC(=O)OC1=C(C=C2C(=C1Br)OC3=C(C(=C(C=C3C24C5=C(C=C(C=C5)C(=O)O)C(=O)O4)Br)OC(=O)C)Br)Br.CC(=O)OC1=C(C=C2C(=C1Br)OC3=C(C(=C(C=C3C24C5=C(C=CC(=C5)C(=O)O)C(=O)O4)Br)OC(=O)C)Br)Br