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3I0

Summary
Name:4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
Formula:C10 H9 N O7 S2
Formal charge:0
Formula weight:319.311 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-amino-5-hydroxynaphthalene-2,7-disulfonic acid
OpenEye OEToolkits2.0.74-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c1cc2cc(cc(O)c2c(N)c1)S(=O)(=O)O
InChIInChI1.03InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyInChI1.03APRRQJCCBSJQOQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O
SMILESCACTVS3.385Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O

248335

PDB entries from 2026-01-28

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