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A1IDU

Summary
Name:6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid
Formula:C20 H16 N2 O7 S2
Formal charge:0
Formula weight:460.48 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H16N2O7S2/c21-13-3-1-11-5-15(9-19(23)17(11)7-13)30(25,26)22-14-4-2-12-6-16(31(27,28)29)10-20(24)18(12)8-14/h1-10,22-24H,21H2,(H,27,28,29)
InChIKeyInChI1.06GCIKNRHROSMLPR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc2cc(cc(O)c2c1)[S](=O)(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O
SMILESCACTVS3.385Nc1ccc2cc(cc(O)c2c1)[S](=O)(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc2c1cc(cc2O)S(=O)(=O)Nc3ccc4cc(cc(c4c3)O)S(=O)(=O)O)N
SMILESOpenEye OEToolkits2.0.7c1cc(cc2c1cc(cc2O)S(=O)(=O)Nc3ccc4cc(cc(c4c3)O)S(=O)(=O)O)N

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PDB entries from 2026-01-21

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