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3-hydroxy-4-(4-sulfamoylphenyl)diazenylnaphthalene-2-carboxylic acid,

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摘 要: 3-hydroxy-4-(4-sulfamoylphenyl)diazenylnaphthalene-2-carboxylic acid,Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)C(=O)O,InChI: InChI=1/C17H13N3O5S/c18-26(24,,25)12-7-5-11(6-8-12)19-20-15-13-4-2-1-3-10(13)9-14(16(15)21)17(22
[Synonyms]

[Structure]
 3-hydroxy-4-(4-sulfamoylphenyl)diazenylnaphthalene-2-carboxylic acid,

[ Properties Computed from Structure]
Molecular Weight371.36722 [g/mol]
Molecular FormulaC17H13N3O5S
XLogP4.3
H-Bond Donor3
H-Bond Acceptor8
Rotatable Bond Count4
Tautomer Count4
Exact Mass371.057591
MonoIsotopic Mass371.057591
Topological Polar Surface Area142
Heavy Atom Count26
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-hydroxy-4-(4-sulfamoylphenyl)diazenylnaphthalene-2-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)C(=O)O
InChI: InChI=1/C17H13N3O5S/c18-26(24,
25)12-7-5-11(6-8-12)19-20-15-13-4-2-1-3-10(13)9-14(16(15)21)17(22)23/h1-
9,21H,(H,22,23)(H2,18,24,25)/b20-19+/f/h22H,18H2

 
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