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(E,3S)-3-(1-chloranylisoquinolin-7-yl)-2-methyl-8-oxidanylidene-non-6-enal

(E,3S)-3-(1-chloranylisoquinolin-7-yl)-2-methyl-8-oxidanylidene-non-6-enal

Systemtic Name:(E,3S)-3-(1-chloranylisoquinolin-7-yl)-2-methyl-8-oxidanylidene-non-6-enal
Openeye Name:(E,3S)-3-(1-chloro-7-isoquinolyl)-2-methyl-8-oxo-non-6-enal
CAS Name:(E,3S)-3-(1-chloro-7-isoquinolinyl)-2-methyl-8-oxo-6-nonenal
IUPAC Name:(E,3S)-3-(1-chloroisoquinolin-7-yl)-2-methyl-8-oxonon-6-enal
Traditional Name:(E,3S)-3-(1-chloro-7-isoquinolyl)-8-keto-2-methyl-non-6-enal
Formula: C19H20ClNO2
MolecularWeight: 329.8206
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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C(CCC=CC(=O)C)C1=CC2=C(C=C1)C=CN=C2Cl


Isomeric SMILES

CC(C=O)[C@H](CC/C=C/C(=O)C)C1=CC2=C(C=C1)C=CN=C2Cl


InChI

InChI=1S/C19H20ClNO2/c1-13(12-22)17(6-4-3-5-14(2)23)16-8-7-15-9-10-21-19(20)18(15)11-16/h3,5,7-13,17H,4,6H2,1-2H3/b5-3+/t13?,17-/m0/s1


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