AC1O6XFU

disodium;(3E)-3-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate

Also Known As: DIRECT YELLOW 44|EINECS 230-657-0|Benzoic acid, 2-hydroxy-5-[[4-[[[[2-methoxy- 4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino ]phenyl]azo]-, disodium salt|Benzoic acid, 2-hydroxy-5-[[4-[[[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-, disodium salt|disodium (3E)-3-[[4-[[2-methoxy-4-(3-sulfonatophenyl)azo-phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate|disodium (3E)-3-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate

Molecular Formula	C27H20N6Na2O8S
Molecular Weight	634.0859 g/mol
LogP	-2.7502
Topological Polar Surface Area	213.87 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	634.0859
Monoisotopic Mass	634.0859
Heavy Atoms	44
Complexity	1791.9541

Chemical Identifiers

CAS Number	7248-45-5
SMILES	COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])NC(=O)NC3=CC=C(C=C3)N/N=C/4\C=CC(=O)C(=C4)C(=O)[O-].[Na+].[Na+]