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J28

Summary
Name:5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid
Formula:C15 H17 N3 O4 S
Formal charge:0
Formula weight:335.378 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid
OpenEye OEToolkits1.7.05-[(E)-(2-azanyl-4-hydroxy-5-methyl-phenyl)diazenyl]-2,4-dimethyl-benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c2cc(/N=N/c1cc(c(O)cc1N)C)c(cc2C)C
SMILES_CANONICALCACTVS3.370Cc1cc(N=Nc2cc(c(C)cc2C)[S](O)(=O)=O)c(N)cc1O
SMILESCACTVS3.370Cc1cc(N=Nc2cc(c(C)cc2C)[S](O)(=O)=O)c(N)cc1O
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C
SMILESOpenEye OEToolkits1.7.0Cc1cc(c(cc1N=Nc2cc(c(cc2N)O)C)S(=O)(=O)O)C
InChIInChI1.03InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)/b18-17+
InChIKeyInChI1.03UUECJWRVDTUDCB-ISLYRVAYSA-N

218500

PDB entries from 2024-04-17

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