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SummaryGeometryRelated PDB entries

6WP

Summary
Name:naphthalen-1-yl (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:C28 H22 O6 S
Formal charge:0
Formula weight:486.536 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.5naphthalen-1-yl (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C28H22O6S/c29-20-12-8-18(9-13-20)26-24-16-25(28(33-24)27(26)19-10-14-21(30)15-11-19)35(31,32)34-23-7-3-5-17-4-1-2-6-22(17)23/h1-15,24-25,28-30H,16H2/t24-,25+,28+/m0/s1
InChIKeyInChI1.03OSZKYDDIASBEKJ-BXTSTYNKSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S](=O)(=O)Oc4cccc5ccccc45)c6ccc(O)cc6
SMILESCACTVS3.385Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4cccc5ccccc45)c6ccc(O)cc6
SMILES_CANONICALOpenEye OEToolkits2.0.5c1ccc2c(c1)cccc2OS(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O
SMILESOpenEye OEToolkits2.0.5c1ccc2c(c1)cccc2OS(=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O

246704

PDB entries from 2025-12-24

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