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6AN

Summary
Name:6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE
Synonyms:2-ANILINONAPHTHALENE-6-SULFONIC ACID
Formula:C16 H13 N O3 S
Formal charge:0
Formula weight:299.344 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(cyclohexa-2,5-dien-1-ylideneamino)naphthalene-2-sulfonic acid
OpenEye OEToolkits1.6.16-(1-cyclohexa-2,5-dienylideneamino)naphthalene-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(O)c3ccc2cc(\N=C1/C=CCC=C1)ccc2c3
SMILES_CANONICALCACTVS3.352O[S](=O)(=O)c1ccc2cc(ccc2c1)N=C3C=CCC=C3
SMILESCACTVS3.352O[S](=O)(=O)c1ccc2cc(ccc2c1)N=C3C=CCC=C3
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3
SMILESOpenEye OEToolkits1.6.1c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3
InChIInChI1.03InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20)
InChIKeyInChI1.03WXUMRSOAQINBNG-UHFFFAOYSA-N

227344

PDB entries from 2024-11-13

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