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105176-22-5 | 5-[3-Ethoxy-4-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-butenylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)methyl]-4,5-dihydro-4-oxothiazolium iodide
CAS No: 105176-22-5 Catalog No: AG003MB8 MDL No:
Product Description
Catalog Number:
AG003MB8
Chemical Name:
5-[3-Ethoxy-4-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-butenylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)methyl]-4,5-dihydro-4-oxothiazolium iodide
CAS Number:
105176-22-5
IUPAC Name:
5-[3-ethoxy-4-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one;iodide
InChI:
InChI=1S/C39H40N3O2S3.HI/c1-6-40-31-24-27(5)20-22-32(31)45-34(40)25-30(44-9-4)21-23-33-39(43)42(8-3)36(46-33)26-35-41(7-2)37(28-16-12-10-13-17-28)38(47-35)29-18-14-11-15-19-29;/h10-26H,6-9H2,1-5H3;1H/q+1;/p-1
InChI Key:
RRGPZNSNORJTEB-UHFFFAOYSA-M
Properties
Complexity:
1350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
805.133g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
805.852g/mol
Monoisotopic Mass:
805.133g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
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