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6-[4-(2-phenylethynyl)phenoxy]hexyl 2-methylbutanoate

6-[4-(2-phenylethynyl)phenoxy]hexyl 2-methylbutanoate

Systemtic Name:6-[4-(2-phenylethynyl)phenoxy]hexyl 2-methylbutanoate
Openeye Name:6-[4-(2-phenylethynyl)phenoxy]hexyl 2-methylbutanoate
CAS Name:2-methylbutanoic acid 6-[4-(2-phenylethynyl)phenoxy]hexyl ester
IUPAC Name:6-[4-(2-phenylethynyl)phenoxy]hexyl 2-methylbutanoate
Traditional Name:2-methylbutyric acid 6-[4-(2-phenylethynyl)phenoxy]hexyl ester
Formula: C25H30O3
MolecularWeight: 378.5039
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C#CC2=CC=CC=C2


Isomeric SMILES

CCC(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C#CC2=CC=CC=C2


InChI

InChI=1S/C25H30O3/c1-3-21(2)25(26)28-20-10-5-4-9-19-27-24-17-15-23(16-18-24)14-13-22-11-7-6-8-12-22/h6-8,11-12,15-18,21H,3-5,9-10,19-20H2,1-2H3


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