Catalog Number:
AG000G4S
Chemical Name:
3,6-Bis(dimethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium perchlorate
CAS Number:
115532-50-8
Molecular Formula:
C25H25ClN2O7
Molecular Weight:
500.9282
MDL Number:
MFCD00274460
IUPAC Name:
[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium;perchlorate
InChI:
InChI=1S/C25H25N2O3.ClHO4/c1-26(2)16-10-12-20-22(14-16)30-23-15-17(27(3)4)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-5;2-1(3,4)5/h6-15H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PFYWPQMAWCYNGW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COC(=O)c1ccccc1c1c2ccc(cc2[o+]c2c1ccc(c2)N(C)C)N(C)C
