Molecule ID: 65196

IUPAC Name: sodium;4-[3-(ethylamino)-6-ethylazaniumylidene-2,7-dimethylxanthen-9-yl]benzene-1,3-disulfonate

Description: The molecule is an organic sodium salt and a xanthene dye. It has a role as a fluorochrome. It contains a sulforhodamine G anion.

SMILES: CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)O)c-2cc1C.[Na+]

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

InChI: InChI=1S/C25H26N2O7S2.Na/c1-5-26-20-12-22-18(9-14(20)3)25(19-10-15(4)21(27-6-2)13-23(19)34-22)17-8-7-16(35(28,29)30)11-24(17)36(31,32)33;/h7-13,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: nan