Home Sulfos 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium 4-methylbenzenesulfonate

2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium 4-methylbenzenesulfonate

CAS No.:
134127-48-3
Catalog Number:
AG00HT8C
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)(N)
1 week
United States
$149
- +
5g
>98.0%(HPLC)(N)
1 week
United States
$424
- +
Product Description
Catalog Number:
AG00HT8C
Chemical Name:
2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium 4-methylbenzenesulfonate
CAS Number:
134127-48-3
MDL Number:
MFCD03093252
IUPAC Name:
(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate
InChI:
InChI=1S/C40H40ClN2.C7H8O3S/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12-13,16-25H,11,14-15H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
LQVQHHTYXSPHSQ-UHFFFAOYSA-M
EC Number:
420-680-6
Properties
Complexity:
1360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
754.3g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
755.414g/mol
Monoisotopic Mass:
754.3g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties