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D5O

Summary
Name:3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one
Formula:C16 H18 O4
Formal charge:0
Formula weight:274.312 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H18O4/c17-12-7-11-8-13(6-10-4-2-1-3-5-10)20-16(19)15(11)14(18)9-12/h7-10,17-18H,1-6H2
InChIKeyInChI1.03ZYQPLLMXINVPHW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c2C(=O)OC(=Cc2c1)CC3CCCCC3
SMILESCACTVS3.385Oc1cc(O)c2C(=O)OC(=Cc2c1)CC3CCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O
SMILESOpenEye OEToolkits2.0.7c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O

222624

數據於2024-07-17公開中

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