Molecule ID: 65217

IUPAC Name: [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium;chloride

Description: The molecule is an organic chloride salt and a xanthene dye. It has a role as a fluorochrome. It contains a rhodamine 123(1+).

SMILES: COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12.Cl

SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][S][Ring1][#Branch1].[Cl]

InChI: InChI=1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H

Molecular Properties:
- Polar Surface Area: 87.1 Ų
- LogP: nan