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RE8

Summary
Name:4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
Synonyms:Acid red 88
Formula:C20 H14 N2 O4 S
Formal charge:0
Formula weight:378.401 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
OpenEye OEToolkits1.7.64-[(E)-(2-oxidanylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c4ccc(/N=N/c2c1ccccc1ccc2O)c3ccccc34
InChIInChI1.03InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
InChIKeyInChI1.03JSAKRLDIZOGQTN-QURGRASLSA-N
SMILES_CANONICALCACTVS3.370Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)[S](O)(=O)=O
SMILESCACTVS3.370Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)ccc(c2N=Nc3ccc(c4c3cccc4)S(=O)(=O)O)O

224931

PDB entries from 2024-09-11

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