Molecule ID: 59841416

IUPAC Name: 2-[9-(2-ethoxycarbonylphenyl)-6-oxoxanthen-3-yl]oxyacetic acid

Description: The molecule is a carboxylic ester that is the ethyl ester of fluorescein in its ring-opened acid form and substituted on one of the oxygen functions of the xanthene nucleus by a carboxymethyl group. It has a role as a fluorescent probe. It is an ethyl ester and a dicarboxylic acid monoester. It derives from a fluorescein.

SMILES: CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCC(=O)O)ccc12

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

InChI: InChI=1S/C24H18O7/c1-2-29-24(28)17-6-4-3-5-16(17)23-18-9-7-14(25)11-20(18)31-21-12-15(8-10-19(21)23)30-13-22(26)27/h3-12H,2,13H2,1H3,(H,26,27)

Molecular Properties:
- Polar Surface Area: 99.1 Ų
- LogP: 3.1