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12-[4-(2-phenylethynyl)phenoxy]dodecyl 2-methylbutanoate

12-[4-(2-phenylethynyl)phenoxy]dodecyl 2-methylbutanoate

Systemtic Name:12-[4-(2-phenylethynyl)phenoxy]dodecyl 2-methylbutanoate
Openeye Name:12-[4-(2-phenylethynyl)phenoxy]dodecyl 2-methylbutanoate
CAS Name:2-methylbutanoic acid 12-[4-(2-phenylethynyl)phenoxy]dodecyl ester
IUPAC Name:12-[4-(2-phenylethynyl)phenoxy]dodecyl 2-methylbutanoate
Traditional Name:2-methylbutyric acid 12-[4-(2-phenylethynyl)phenoxy]dodecyl ester
Formula: C31H42O3
MolecularWeight: 462.66338
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=CC=C2


Isomeric SMILES

CCC(C)C(=O)OCCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=CC=C2


InChI

InChI=1S/C31H42O3/c1-3-27(2)31(32)34-26-16-11-9-7-5-4-6-8-10-15-25-33-30-23-21-29(22-24-30)20-19-28-17-13-12-14-18-28/h12-14,17-18,21-24,27H,3-11,15-16,25-26H2,1-2H3


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