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P6N

Summary
Name:(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one
Formula:C11 H12 O
Formal charge:0
Formula weight:160.212 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyInChI1.03GANIBVZSZGNMNB-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1CCc2ccccc2C1=O
SMILESCACTVS3.385C[CH]1CCc2ccccc2C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]1CCc2ccccc2C1=O
SMILESOpenEye OEToolkits2.0.7CC1CCc2ccccc2C1=O

222036

PDB entries from 2024-07-03

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