Molecule ID: 2762683

IUPAC Name: [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium

Description: The molecule is an organic cation resulting from the conversion of the carboxylate group of tetramethylrhodamine to the corresponding ethyl ester. It has a role as a fluorochrome. It is an organic cation and a xanthene dye. It derives from a tetramethylrhodamine.

SMILES: CCOC(=O)c1ccccc1-c1c2ccc(N(C)C)cc2[o+]c2cc(N(C)C)ccc12

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Ring1][=Branch2][=O+1][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1

Molecular Properties:
- Polar Surface Area: 41.8 Ų
- LogP: 3.7