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18420-56-9 | 3-ethyl-2-[2-[(3-ethylnaphtho[2,3-d]thiazolin-2-ylidene)methyl]-1-butenyl]naphtho[2,3-d]thiazolium p-toluenesulphonate
CAS No: 18420-56-9 Catalog No: AG00ALTJ MDL No:
Product Description
Catalog Number:
AG00ALTJ
Chemical Name:
3-ethyl-2-[2-[(3-ethylnaphtho[2,3-d]thiazolin-2-ylidene)methyl]-1-butenyl]naphtho[2,3-d]thiazolium p-toluenesulphonate
CAS Number:
18420-56-9
IUPAC Name:
3-ethyl-2-[2-[(3-ethylbenzo[f][1,3]benzothiazol-3-ium-2-yl)methylidene]butylidene]benzo[f][1,3]benzothiazole;4-methylbenzenesulfonate
InChI:
InChI=1S/C31H29N2S2.C7H8O3S/c1-4-21(15-30-32(5-2)26-17-22-11-7-9-13-24(22)19-28(26)34-30)16-31-33(6-3)27-18-23-12-8-10-14-25(23)20-29(27)35-31;1-6-2-4-7(5-3-6)11(8,9)10/h7-20H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
UTZNVVVOLSQOGF-UHFFFAOYSA-M
EC Number:
242-299-2
Properties
Complexity:
938
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
664.189g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
664.897g/mol
Monoisotopic Mass:
664.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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