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ORI

Summary
Name:4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Synonyms:Orange I
Formula:C16 H12 N2 O4 S
Formal charge:0
Formula weight:328.342 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
OpenEye OEToolkits1.7.64-[(E)-(4-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3
InChIInChI1.03InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+
InChIKeyInChI1.03PURJGKXXWJKIQR-ISLYRVAYSA-N
SMILES_CANONICALCACTVS3.370Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13
SMILESCACTVS3.370Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O)(=O)O

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PDB entries from 2024-07-10

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