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2-isoquinolin-5-ylbutaneperoxoic acid

2-isoquinolin-5-ylbutaneperoxoic acid

Systemtic Name:2-isoquinolin-5-ylbutaneperoxoic acid
Openeye Name:2-(5-isoquinolyl)butaneperoxoic acid
CAS Name:2-(5-isoquinolinyl)butaneperoxoic acid
IUPAC Name:2-isoquinolin-5-ylbutaneperoxoic acid
Traditional Name:2-(5-isoquinolyl)peroxybutyric acid
Formula: C13H13NO3
MolecularWeight: 231.24722
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC2=C1C=CN=C2)C(=O)OO


Isomeric SMILES

CCC(C1=CC=CC2=C1C=CN=C2)C(=O)OO


InChI

InChI=1S/C13H13NO3/c1-2-10(13(15)17-16)12-5-3-4-9-8-14-7-6-11(9)12/h3-8,10,16H,2H2,1H3


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