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93838-99-4 | 3-ETHYL-2-[3-(3-ETHYL-5-METHOXY-3H-BENZOSELENAZOL-2-YLIDENE)PROP-1-ENYL]-5-METHOXYBENZOSELENAZOLIUM IODIDE
CAS No: 93838-99-4 Catalog No: AG006CUM MDL No:
Product Description
Catalog Number:
AG006CUM
Chemical Name:
3-ETHYL-2-[3-(3-ETHYL-5-METHOXY-3H-BENZOSELENAZOL-2-YLIDENE)PROP-1-ENYL]-5-METHOXYBENZOSELENAZOLIUM IODIDE
CAS Number:
93838-99-4
Molecular Formula:
C23H25IN2O2Se2
Molecular Weight:
646.2813
IUPAC Name:
3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-5-methoxy-1,3-benzoselenazole;iodide
InChI:
InChI=1S/C23H25N2O2Se2.HI/c1-5-24-18-14-16(26-3)10-12-20(18)28-22(24)8-7-9-23-25(6-2)19-15-17(27-4)11-13-21(19)29-23;/h7-15H,5-6H2,1-4H3;1H/q+1;/p-1
InChI Key:
URWKGTZRIOHYOE-UHFFFAOYSA-M
SMILES:
COc1ccc2c(c1)[n+](CC)c([se]2)C=CC=c1[se]c2c(n1CC)cc(cc2)OC.[I-]
EC Number:
298-770-8
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
647.929g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
646.311g/mol
Monoisotopic Mass:
647.929g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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