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A1ITY

Summary
Name:4-[(3,5-dimethoxyphenyl)methoxy]naphthalene-1-sulfonic acid
Formula:C19 H18 O6 S
Formal charge:0
Formula weight:374.408 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[(3,5-dimethoxyphenyl)methoxy]naphthalene-1-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H18O6S/c1-23-14-9-13(10-15(11-14)24-2)12-25-18-7-8-19(26(20,21)22)17-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyInChI1.06HBRBRSZOPKJOKW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(COc2ccc(c3ccccc23)[S](O)(=O)=O)cc(OC)c1
SMILESCACTVS3.385COc1cc(COc2ccc(c3ccccc23)[S](O)(=O)=O)cc(OC)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(cc(c1)OC)COc2ccc(c3c2cccc3)S(=O)(=O)O
SMILESOpenEye OEToolkits2.0.7COc1cc(cc(c1)OC)COc2ccc(c3c2cccc3)S(=O)(=O)O

249697

PDB entries from 2026-02-25

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