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5K7

Summary
Name:methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
Formula:C22 H24 O4
Formal charge:0
Formula weight:352.424 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
OpenEye OEToolkits1.9.2methyl 2-[4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc3ccc(\C(=C1/CCC(CC(=O)OC)CC1)c2ccc(cc2)O)cc3
InChIInChI1.03InChI=1S/C22H24O4/c1-26-21(25)14-15-2-4-16(5-3-15)22(17-6-10-19(23)11-7-17)18-8-12-20(24)13-9-18/h6-13,15,23-24H,2-5,14H2,1H3
InChIKeyInChI1.03ANBKAPQYIYCLKX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)C[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385COC(=O)C[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1
SMILESOpenEye OEToolkits1.9.2COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1

223166

PDB entries from 2024-07-31

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