
 MLS000114342

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M  END

>  <Chemical Name>
MLS000114342

>  <PubChem CID>
2930337

>  <Formula>
C18H18ClNO3

>  <Molecular Weight>
331.796000

>  <IUPAC Name>
5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C=C(CC2C1C(=O)N(C2=O)CC3CC4=CC=CC=C4CO3)Cl

>  <Isomeric SMILES>
C1C=C(CC2C1C(=O)N(C2=O)CC3CC4=CC=CC=C4CO3)Cl

>  <InChI Std. ID>
InChI=1S/C18H18ClNO3/c19-13-5-6-15-16(8-13)18(22)20(17(15)21)9-14-7-11-3-1-2-4-12(11)10-23-14/h1-5,14-16H,6-10H2

>  <InChI Key>
AWCKGOAGXDNJHN-UHFFFAOYSA-N

