Home Sulfos 2-[5-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydrobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(4-sulfobutyl)-1h-benzo[e]indolium inner salt sodium salt

2-[5-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydrobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(4-sulfobutyl)-1h-benzo[e]indolium inner salt sodium salt

CAS No.:
64285-36-5
Catalog Number:
AG00EHLU
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)(N)
1 week
United States
$263
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Product Description
Catalog Number:
AG00EHLU
Chemical Name:
2-[5-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydrobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(4-sulfobutyl)-1h-benzo[e]indolium inner salt sodium salt
CAS Number:
64285-36-5
MDL Number:
MFCD16621036
IUPAC Name:
sodium;4-[(2Z)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
InChI:
InChI=1S/C41H46N2O6S2.Na/c1-40(2)36(42(26-12-14-28-50(44,45)46)34-24-22-30-16-8-10-18-32(30)38(34)40)20-6-5-7-21-37-41(3,4)39-33-19-11-9-17-31(33)23-25-35(39)43(37)27-13-15-29-51(47,48)49;/h5-11,16-25H,12-15,26-29H2,1-4H3,(H-,44,45,46,47,48,49);/q;+1/p-1
InChI Key:
LAYIHRUYRMYLTJ-UHFFFAOYSA-M
Properties
Complexity:
1440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
748.262g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
748.929g/mol
Monoisotopic Mass:
748.262g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties