Molecule ID: 4241719

IUPAC Name: 2-[2,7-bis(2-carboxyethyl)-3-hydroxy-6-oxoxanthen-9-yl]terephthalic acid

Description: The molecule is a 2',7'-bis-(2-carboxyethyl)carboxyfluorescein compound having a carboxy substituent in the 6-position. It has a role as a fluorochrome. It derives from a fluorescein.

SMILES: O=C(O)CCc1cc2c(-c3cc(C(=O)O)ccc3C(=O)O)c3cc(CCC(=O)O)c(=O)cc-3oc2cc1O

SELFIES: [O][=C][Branch1][C][O][C][C][C][=C][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Ring1][N][O][C][=Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O]

InChI: InChI=1S/C27H20O11/c28-19-10-21-17(7-12(19)2-5-23(30)31)25(16-9-14(26(34)35)1-4-15(16)27(36)37)18-8-13(3-6-24(32)33)20(29)11-22(18)38-21/h1,4,7-11,28H,2-3,5-6H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: 1.5