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65767-29-5

65767-29-5 | Naphtho[2,1-d]thiazolium, 3-ethyl-2-[[3-[3-[3-[(3-ethylnaphtho[2,1-d]thiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, perchlorate

CAS No: 65767-29-5 Catalog No: AG00FX9S MDL No:

Product Description

Catalog Number:
AG00FX9S
Chemical Name:
Naphtho[2,1-d]thiazolium, 3-ethyl-2-[[3-[3-[3-[(3-ethylnaphtho[2,1-d]thiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, perchlorate
CAS Number:
65767-29-5
IUPAC Name:
(2E)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3Z)-3-[(3-ethylbenzo[g][1,3]benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]benzo[g][1,3]benzothiazole;perchlorate
InChI:
InChI=1S/C47H49N2S2.ClHO4/c1-7-48-40-22-20-36-16-9-11-18-38(36)44(40)50-42(48)26-34-24-32(28-46(3,4)30-34)14-13-15-33-25-35(31-47(5,6)29-33)27-43-49(8-2)41-23-21-37-17-10-12-19-39(37)45(41)51-43;2-1(3,4)5/h9-27H,7-8,28-31H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KYCPJTVPVKLRBG-UHFFFAOYSA-M
EC Number:
265-914-6

Properties

Complexity:
1470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4  
Exact Mass:
804.282g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
805.489g/mol
Monoisotopic Mass:
804.282g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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