Molecule ID: 65134

IUPAC Name: [9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;chloride

Description: The molecule is an organic chloride salt. It has a role as a fluorochrome. It contains a tetramethylrhodamine thiocyanate cation. It derives from a rhodamine 110.

SMILES: CN(C)c1ccc2c(-c3ccc(SC#N)cc3C(=O)[O-])c3ccc(N(C)C)cc3[o+]c2c1.Cl

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring2][S][C][#N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O-1][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Ring1][=Branch2][=O+1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N].[Cl]

InChI: InChI=1S/C25H21N3O3S.ClH/c1-27(2)15-5-8-19-22(11-15)31-23-12-16(28(3)4)6-9-20(23)24(19)18-10-7-17(32-14-26)13-21(18)25(29)30;/h5-13H,1-4H3;1H

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: nan