Molecule ID: 3606995

IUPAC Name: 2,4,5,7-tetrabromo-9-(2-ethoxycarbonylphenyl)-6-oxoxanthen-3-olate

Description: The molecule is the anionic form of ethyl eosin. It has a role as a fluorochrome. It is an organobromine compound and an organic anion.

SMILES: CCOC(=O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][=Branch2][O][C][=C][Branch1][C][Br][C][Branch1][C][O-1][=C][Branch1][C][Br][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C22H12Br4O5/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26/h3-8,27H,2H2,1H3/p-1

Molecular Properties:
- Polar Surface Area: 75.7 Ų
- LogP: 7.0