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5J1

Summary
Name:4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol
Formula:C22 H26 O2
Formal charge:0
Formula weight:322.441 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol
OpenEye OEToolkits1.9.24-[9-bicyclo[3.3.1]nonanyl-(4-hydroxyphenyl)methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CCC2CCCC1C2C(c3ccc(O)cc3)c4ccc(cc4)O
InChIInChI1.03InChI=1S/C22H26O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,21-24H,1-6H2/t15-,16+,21-
InChIKeyInChI1.03XMGZSDUYJAXVID-VPTLXERWSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)C(C2C3CCCC2CCC3)c4ccc(O)cc4
SMILESCACTVS3.385Oc1ccc(cc1)C(C2C3CCCC2CCC3)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O

227111

数据于2024-11-06公开中

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