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53019-70-8 | 3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS No: 53019-70-8 Catalog No: AG00DUIV MDL No:
Product Description
Catalog Number:
AG00DUIV
Chemical Name:
3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS Number:
53019-70-8
IUPAC Name:
3-ethyl-2-[2-[3-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C28H29N2S2.HI/c1-3-29-23-12-5-7-14-25(23)31-27(29)18-16-21-10-9-11-22(20-21)17-19-28-30(4-2)24-13-6-8-15-26(24)32-28;/h5-8,12-20H,3-4,9-11H2,1-2H3;1H/q+1;/p-1
InChI Key:
NMPRQJMDWNNKJN-UHFFFAOYSA-M
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.082g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
584.578g/mol
Monoisotopic Mass:
584.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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