Home Sulfos Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt

Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt

CAS No.:
2609-88-3
Catalog Number:
AG00I4YX
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
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Product Description
Catalog Number:
AG00I4YX
Chemical Name:
Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt
CAS Number:
2609-88-3
MDL Number:
MFCD00067690
IUPAC Name:
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate
InChI:
InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)
InChI Key:
IOOMXAQUNPWDLL-UHFFFAOYSA-N
Properties
Complexity:
1170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.149g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
558.664g/mol
Monoisotopic Mass:
558.149g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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Properties