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SummaryGeometryRelated PDB entries

7M1

Summary
Name:phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
Formula:C24 H18 O5 S
Formal charge:0
Formula weight:418.462 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01phenyl 1~4~,3~4~-dihydroxy[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-sulfonate
OpenEye OEToolkits2.0.6phenyl 3,4-bis(4-hydroxyphenyl)benzenesulfonate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccccc2)ccc3c4ccc(cc4)O
InChIInChI1.03InChI=1S/C24H18O5S/c25-19-10-6-17(7-11-19)23-15-14-22(16-24(23)18-8-12-20(26)13-9-18)30(27,28)29-21-4-2-1-3-5-21/h1-16,25-26H
InChIKeyInChI1.03OBWTWQODGLXVRA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccccc4
SMILESCACTVS3.385Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O

222415

PDB entries from 2024-07-10

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