Reactive Yellow MERL

7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Also Known As: Reactive Yellow MERL|7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid|7-[[4-[[4-[[3-[[2-(Sulfooxy)ethyl]sulfonyl]phenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-ureidophenyl]azo]naphthalene-1,3,6-trissulfonic acid|7-{2-[2-(carbamoylamino)-4-{[4-chloro-6-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}phenyl]diazen-1-yl}naphthalene-1,3,6-trisulfonic acid

Molecular Formula	C28H24ClN9O16S5
Molecular Weight	936.9633 g/mol
LogP	0.7
Topological Polar Surface Area	445.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	23
Rotatable Bonds	15
Exact Mass	936.9633
Monoisotopic Mass	936.9633
Heavy Atoms	59
Complexity	2080.0

Chemical Identifiers

CAS Number	86293-57-4
SMILES	C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N
InChIKey	BLYVOCSVMBEJLS-UHFFFAOYSA-N