Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 432.45184 [g/mol] Molecular Formula C22H16N4O4S XLogP 5.6 H-Bond Donor 2 H-Bond Acceptor 8 Rotatable Bond Count 5 Tautomer Count 4 Exact Mass 432.089226 MonoIsotopic Mass 432.089226 Topological Polar Surface Area 124 Heavy Atom Count 31 Formal Charge 0 Complexity 745 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-[4-(4-hydroxyphenyl)diazenylnaphthalen-1-yl]diazenylbenzenesulfonic
acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)O)N=NC4=CC=C(C=C4)O
InChI: InChI=1/C22H16N4O4S/c27-17-10-8-15(9-11-17)23-25-21-12-13-22(20-7-2-1-6-
19(20)21)26-24-16-4-3-5-18(14-16)31(28,29)30/h1-14,27H,(H,28,29,
30)/b25-23+,26-24+/f/h28H
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