200,000+ products from a single source!
sales@angenechem.com
65767-27-3 | 3-ethyl-2-[[3-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]benzothiazolium perchlorate
CAS No: 65767-27-3 Catalog No: AG00FOIW MDL No:
Product Description
Catalog Number:
AG00FOIW
Chemical Name:
3-ethyl-2-[[3-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]benzothiazolium perchlorate
CAS Number:
65767-27-3
IUPAC Name:
(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;perchlorate
InChI:
InChI=1S/C39H45N2S2.ClHO4/c1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;2-1(3,4)5/h9-23H,7-8,24-27H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GSNCVSBBWPKYBF-UHFFFAOYSA-M
EC Number:
265-913-0
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
704.251g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
705.369g/mol
Monoisotopic Mass:
704.251g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.