Molecule ID: 16211363

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

Description: The molecule is a monocarboxylic acid, a xanthene dye and an organic perchlorate salt. It has a role as a fluorochrome. It contains an ATTO 520-2(1+).

SMILES: CCN=c1cc2oc3cc(NCC)c(C)cc3c(CCC(=O)O)c-2cc1C.[O-][Cl+3]([O-])([O-])O

SELFIES: [C][C][N][=C][C][=C][O][C][=C][C][Branch1][Ring2][N][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].[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O]

InChI: InChI=1S/C22H26N2O3.ClHO4/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;2-1(3,4)5/h9-12,23H,5-8H2,1-4H3,(H,25,26);(H,2,3,4,5)

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: nan