61105-57-5
3,3'-DIETHYL-9-METHYLOXACARBOCYANINE PERCHLORATE
Name3,3'-DIETHYL-9-METHYLOXACARBOCYANINE PERCHLORATE
pro_formulaC22 H23 N2 O2 . Cl O4
1Identification
【Name】
3,3'-DIETHYL-9-METHYLOXACARBOCYANINE PERCHLORATE
【CAS】
【MDL】
MFCD00142615
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H23 N2 O2 . Cl O4
【pro_molWeight】
446.885
【Inchi】
InChI=1S/C22H23N2O2.ClHO4/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;2-1(3,4)5/h6-15H,4-5H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=YALRBTOVOWPFBQ-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2ccccc2oc1/C=C(\C)/C=C/3\N(c4ccccc4O3)CC.[O-]Cl(=O)(=O)=O
【MOL File】
3,3'-DIETHYL-9-METHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,3'-DIETHYL-9-METHYLOXACARBOCYANINE PERCHLORATE.cml