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68555-40-8 | 3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5-methoxybenzoselenazolium iodide
CAS No: 68555-40-8 Catalog No: AG00FOF1 MDL No:
Product Description
Catalog Number:
AG00FOF1
Chemical Name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5-methoxybenzoselenazolium iodide
CAS Number:
68555-40-8
IUPAC Name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-5-methoxy-1,3-benzoselenazole;iodide
InChI:
InChI=1S/C25H29N2O2Se2.HI/c1-6-17(13-24-26(7-2)20-15-18(28-4)9-11-22(20)30-24)14-25-27(8-3)21-16-19(29-5)10-12-23(21)31-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1
InChI Key:
ASRVKUKDAHSKCZ-UHFFFAOYSA-M
EC Number:
271-426-4
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
675.96g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
674.365g/mol
Monoisotopic Mass:
675.96g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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