Home Sulfos 2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3h-indolium inner salt sodium salt

2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3h-indolium inner salt sodium salt

CAS No.:
120724-84-7
Catalog Number:
AG008WK9
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)(N)
1 week
United States
$162
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Product Description
Catalog Number:
AG008WK9
Chemical Name:
2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3h-indolium inner salt sodium salt
CAS Number:
120724-84-7
MDL Number:
MFCD16621066
IUPAC Name:
sodium;4-[(2E)-2-[3-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
InChI:
InChI=1S/C31H40N2O6S2.Na/c1-30(2)24-14-5-7-16-26(24)32(20-9-11-22-40(34,35)36)28(30)18-13-19-29-31(3,4)25-15-6-8-17-27(25)33(29)21-10-12-23-41(37,38)39;/h5-8,13-19H,9-12,20-23H2,1-4H3,(H-,34,35,36,37,38,39);/q;+1/p-1
InChI Key:
SBQIZSUJAUKSIJ-UHFFFAOYSA-M
Properties
Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
622.215g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
622.771g/mol
Monoisotopic Mass:
622.215g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties