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64490-86-4 | 2,2'-[oxybis[p-phenyleneazo-p-phenylene(ethylimino)]]bis[tetraethylammonium] bis(4-nitrotoluene-2-sulphonate)
CAS No: 64490-86-4 Catalog No: AG00F6Z6 MDL No:
Product Description
Catalog Number:
AG00F6Z6
Chemical Name:
2,2'-[oxybis[p-phenyleneazo-p-phenylene(ethylimino)]]bis[tetraethylammonium] bis(4-nitrotoluene-2-sulphonate)
CAS Number:
64490-86-4
IUPAC Name:
2-methyl-5-nitrobenzenesulfonate;triethyl-[2-[N-ethyl-4-[[4-[4-[[4-[ethyl-[2-(triethylazaniumyl)ethyl]amino]phenyl]diazenyl]phenoxy]phenyl]diazenyl]anilino]ethyl]azanium
InChI:
InChI=1S/C44H64N8O.2C7H7NO5S/c1-9-49(33-35-51(11-3,12-4)13-5)41-25-17-37(18-26-41)45-47-39-21-29-43(30-22-39)53-44-31-23-40(24-32-44)48-46-38-19-27-42(28-20-38)50(10-2)34-36-52(14-6,15-7)16-8;2*1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h17-32H,9-16,33-36H2,1-8H3;2*2-4H,1H3,(H,11,12,13)/q+2;;/p-2
InChI Key:
SJDVLBIPWRAERE-UHFFFAOYSA-L
EC Number:
264-919-0
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1152.514g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1153.425g/mol
Monoisotopic Mass:
1152.514g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
288A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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