62639-89-8 Purity
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Specification
The molecular formula of Rhodamine 116 perchlorate is C22H19ClN2O7.
The molecular weight of Rhodamine 116 perchlorate is 458.8 g/mol.
The IUPAC name of Rhodamine 116 perchlorate is [9-(2-carboxyphenyl)-6-(methylamino)xanthen-3-ylidene]-methylazanium;perchlorate.
The InChI of Rhodamine 116 perchlorate is InChI=1S/C22H18N2O3.ClHO4/c1-23-13-7-9-17-19(11-13)27-20-12-14(24-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26;2-1(3,4)5/h3-12,23H,1-2H3,(H,25,26);(H,2,3,4,5).
The InChIKey of Rhodamine 116 perchlorate is PGRMUEVKABEERE-UHFFFAOYSA-N.
The canonical SMILES of Rhodamine 116 perchlorate is CNC1=CC2=C(C=C1)C(=C3C=CC(=[NH+]C)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O.
The CAS number of Rhodamine 116 perchlorate is 62669-77-6.
The hydrogen bond donor count of Rhodamine 116 perchlorate is 3.
The hydrogen bond acceptor count of Rhodamine 116 perchlorate is 8.
The rotatable bond count of Rhodamine 116 perchlorate is 3.