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5K8

Summary
Name:dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
Formula:C24 H26 O6
Formal charge:0
Formula weight:410.46 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
OpenEye OEToolkits1.9.2dimethyl 2-[(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl]propanedioate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)\C(=C2/CC(CCC2)C(C(=O)OC)C(OC)=O)c3ccc(cc3)O
InChIInChI1.03InChI=1S/C24H26O6/c1-29-23(27)22(24(28)30-2)18-5-3-4-17(14-18)21(15-6-10-19(25)11-7-15)16-8-12-20(26)13-9-16/h6-13,18,22,25-26H,3-5,14H2,1-2H3/t18-/m0/s1
InChIKeyInChI1.03UXVAZCBFNZLQHS-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.385COC(=O)C([C@H]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3)C(=O)OC
SMILESCACTVS3.385COC(=O)C([CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3)C(=O)OC
SMILES_CANONICALOpenEye OEToolkits1.9.2COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC
SMILESOpenEye OEToolkits1.9.2COC(=O)C(C1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC

222415

數據於2024-07-10公開中

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