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6-[4-[2-(4-methylphenyl)ethynyl]phenoxy]hexyl 2-methylbutanoate

6-[4-[2-(4-methylphenyl)ethynyl]phenoxy]hexyl 2-methylbutanoate

Systemtic Name:6-[4-[2-(4-methylphenyl)ethynyl]phenoxy]hexyl 2-methylbutanoate
Openeye Name:6-[4-[2-(p-tolyl)ethynyl]phenoxy]hexyl 2-methylbutanoate
CAS Name:2-methylbutanoic acid 6-[4-[2-(4-methylphenyl)ethynyl]phenoxy]hexyl ester
IUPAC Name:6-[4-[2-(4-methylphenyl)ethynyl]phenoxy]hexyl 2-methylbutanoate
Traditional Name:2-methylbutyric acid 6-[4-[2-(p-tolyl)ethynyl]phenoxy]hexyl ester
Formula: C26H32O3
MolecularWeight: 392.53048
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H32O3/c1-4-22(3)26(27)29-20-8-6-5-7-19-28-25-17-15-24(16-18-25)14-13-23-11-9-21(2)10-12-23/h9-12,15-18,22H,4-8,19-20H2,1-3H3


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