Molecule ID: 5289081

IUPAC Name: 4-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid

Description: The molecule is a xanthene dye having two fluoro substituents at the 2- and 7-positions and a 2,4-dicarboxyphenyl group at the 9-position. It has a role as a fluorochrome and an epitope. It derives from a fluorescein.

SMILES: O=C(O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch1][C][F][C][=Branch1][C][=O][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][Branch1][C][F][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][O]

InChI: InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 2.4