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ELI

Summary
Name:6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
Formula:C17 H18 O4
Formal charge:0
Formula weight:286.322 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid
OpenEye OEToolkits1.5.06-(3-methyl-1,4-dioxo-naphthalen-2-yl)hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1c(cccc1)C(=O)C(=C2C)CCCCCC(=O)O
SMILES_CANONICALCACTVS3.341CC1=C(CCCCCC(O)=O)C(=O)c2ccccc2C1=O
SMILESCACTVS3.341CC1=C(CCCCCC(O)=O)C(=O)c2ccccc2C1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O
SMILESOpenEye OEToolkits1.5.0CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O
InChIInChI1.03InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)
InChIKeyInChI1.03ICGRXHWXPCXIKM-UHFFFAOYSA-N

224931

數據於2024-09-11公開中

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