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NAB

Summary
Name:2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID
Formula:C17 H12 N2 O3
Formal charge:0
Formula weight:292.289 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzoic acid
OpenEye OEToolkits1.5.02-(4-hydroxynaphthalen-1-yl)diazenylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2
SMILES_CANONICALCACTVS3.341OC(=O)c1ccccc1N=Nc2ccc(O)c3ccccc23
SMILESCACTVS3.341OC(=O)c1ccccc1N=Nc2ccc(O)c3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(ccc2O)N=Nc3ccccc3C(=O)O
InChIInChI1.03InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)/b19-18+
InChIKeyInChI1.03SXAUIPSOPPASFY-VHEBQXMUSA-N

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PDB entries from 2024-07-10

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