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OX1

Summary
Name:[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Formula:C18 H16 O4
Formal charge:0
Formula weight:296.317 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(10-methyl-9,10-epidioxyanthracen-9(10H)-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C
SMILES_CANONICALCACTVS3.341C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c4ccccc24
SMILESCACTVS3.341C[C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24
SMILES_CANONICALOpenEye OEToolkits1.5.0CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O
SMILESOpenEye OEToolkits1.5.0CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O
InChIInChI1.03InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+
InChIKeyInChI1.03IOWYALZFEJOVHO-HDICACEKSA-N

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건을2024-07-10부터공개중

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