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2-heptyl-4-octoxy-1-(2-phenylethynyl)benzene

2-heptyl-4-octoxy-1-(2-phenylethynyl)benzene

Systemtic Name:2-heptyl-4-octoxy-1-(2-phenylethynyl)benzene
Openeye Name:2-heptyl-4-octoxy-1-(2-phenylethynyl)benzene
CAS Name:2-heptyl-4-octoxy-1-(2-phenylethynyl)benzene
IUPAC Name:2-heptyl-4-octoxy-1-(2-phenylethynyl)benzene
Traditional Name:2-heptyl-4-octoxy-1-(2-phenylethynyl)benzene
Formula: C29H40O
MolecularWeight: 404.6273
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCCCCCC


Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCCCCCC


InChI

InChI=1S/C29H40O/c1-3-5-7-9-11-16-24-30-29-23-22-27(21-20-26-17-13-12-14-18-26)28(25-29)19-15-10-8-6-4-2/h12-14,17-18,22-23,25H,3-11,15-16,19,24H2,1-2H3


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