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2AN

Summary
Name:8-ANILINO-1-NAPHTHALENE SULFONATE
Formula:C16 H13 N O3 S
Formal charge:0
Formula weight:299.344 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-(phenylamino)naphthalene-1-sulfonic acid
OpenEye OEToolkits1.7.08-phenylazanylnaphthalene-1-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23
SMILES_CANONICALCACTVS3.370O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
SMILESCACTVS3.370O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
InChIInChI1.03InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKeyInChI1.03FWEOQOXTVHGIFQ-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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