Molecule ID: 44140558

IUPAC Name: [9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium

Description: The molecule is the cationic form of a fluorescent dye derived from a 3,6-bis(ethylamino)xanthene. It has a role as a fluorochrome. It is a xanthene dye and a monocarboxylic acid.

SMILES: CCN=c1cc2oc3cc([NH2+]CC)c(C)cc3c(CCC(=O)O)c-2cc1C

SELFIES: [C][C][N][=C][C][=C][O][C][=C][C][Branch1][Ring2][NH2+1][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C]

InChI: InChI=1S/C22H26N2O3/c1-5-23-18-11-20-16(9-13(18)3)15(7-8-22(25)26)17-10-14(4)19(24-6-2)12-21(17)27-20/h9-12,23H,5-8H2,1-4H3,(H,25,26)/p+1

Molecular Properties:
- Polar Surface Area: 72.5 Ų
- LogP: 3.0