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EI0

Summary
Name:~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
Formula:C20 H26 O5
Formal charge:0
Formula weight:346.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C)OC(=O)C1CC(Cc2ccccc2)(CCC1=O)C(=O)OC
InChIInChI1.06InChI=1S/C20H26O5/c1-19(2,3)25-17(22)15-13-20(18(23)24-4,11-10-16(15)21)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-,20-/m1/s1
InChIKeyInChI1.06WAKMFGLCJLDCIS-FOIQADDNSA-N
SMILES_CANONICALCACTVS3.385COC(=O)[C@]1(CCC(=O)[C@@H](C1)C(=O)OC(C)(C)C)Cc2ccccc2
SMILESCACTVS3.385COC(=O)[C]1(CCC(=O)[CH](C1)C(=O)OC(C)(C)C)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)OC(=O)[C@@H]1C[C@@](CCC1=O)(Cc2ccccc2)C(=O)OC
SMILESOpenEye OEToolkits2.0.7CC(C)(C)OC(=O)C1CC(CCC1=O)(Cc2ccccc2)C(=O)OC

222926

건을2024-07-24부터공개중

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