Rhodamine Phenylglyoxal Hydrate

Analyte Name

Rhodamine Phenylglyoxal Hydrate

CAS Number

2309313-01-5

Molecular Formula

C39H35N7O7 • H2O

Molecular Weight

731.77

Accurate Mass

731.27

SMILES

O=C(C(N1N=NC(CNC(C2=CC(C(OC34C5=C(OC6=CC(N(C)C)=CC=C64)C=C(C=C5)N(C)C)=O)=C3C=C2)=O)=C1)C)NC7=CC(C(C=O)=O)=CC=C7.O

InChI

InChI=1S/C39H35N7O7.H2O/c1-22(36(49)41-25-8-6-7-23(15-25)33(48)21-47)46-20-26(42-43-46)19-40-37(50)24-9-12-30-29(16-24)38(51)53-39(30)31-13-10-27(44(2)3)17-34(31)52-35-18-28(45(4)5)11-14-32(35)39;/h6-18,20-22H,19H2,1-5H3,(H,40,50)(H,41,49);1H2

IUPAC

3',6'-bis(dimethylamino)-3-oxo-N-((1-(1-oxo-1-((3-(2-oxoacetyl)phenyl)amino)propan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide hydrate

Alternate CAS Number

dehydrated: 2309313-00-4

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat