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6-[4-(2-phenylethynyl)phenyl]hex-5-yn-3-yl 4-hexylbenzoate

6-[4-(2-phenylethynyl)phenyl]hex-5-yn-3-yl 4-hexylbenzoate

Systemtic Name:6-[4-(2-phenylethynyl)phenyl]hex-5-yn-3-yl 4-hexylbenzoate
Openeye Name:[1-ethyl-4-[4-(2-phenylethynyl)phenyl]but-3-ynyl] 4-hexylbenzoate
CAS Name:4-hexylbenzoic acid 6-[4-(2-phenylethynyl)phenyl]hex-5-yn-3-yl ester
IUPAC Name:6-[4-(2-phenylethynyl)phenyl]hex-5-yn-3-yl 4-hexylbenzoate
Traditional Name:4-hexylbenzoic acid [1-ethyl-4-[4-(2-phenylethynyl)phenyl]but-3-ynyl] ester
Formula: C33H34O2
MolecularWeight: 462.62186
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC(CC)CC#CC2=CC=C(C=C2)C#CC3=CC=CC=C3


Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC(CC)CC#CC2=CC=C(C=C2)C#CC3=CC=CC=C3


InChI

InChI=1S/C33H34O2/c1-3-5-6-8-14-28-23-25-31(26-24-28)33(34)35-32(4-2)16-11-15-29-18-21-30(22-19-29)20-17-27-12-9-7-10-13-27/h7,9-10,12-13,18-19,21-26,32H,3-6,8,14,16H2,1-2H3


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