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24687-35-2

24687-35-2 | hydrogen-2-[2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

CAS No: 24687-35-2 Catalog No: AG00BUHM MDL No:

Product Description

Catalog Number:
AG00BUHM
Chemical Name:
hydrogen-2-[2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
CAS Number:
24687-35-2
IUPAC Name:
3-[2-[2-[[5-methoxy-3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C28H34N2O7S3Se/c1-5-21(16-27-29(10-6-12-39(31,32)33)23-14-19(2)20(3)15-25(23)38-27)17-28-30(11-7-13-40(34,35)36)24-18-22(37-4)8-9-26(24)41-28/h8-9,14-18H,5-7,10-13H2,1-4H3,(H-,31,32,33,34,35,36)
InChI Key:
HUQYQMSCHMZMBV-UHFFFAOYSA-N
EC Number:
246-411-0

Properties

Complexity:
1150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
686.069g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
685.738g/mol
Monoisotopic Mass:
686.069g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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