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4-(4-octylphenyl)-2-pent-1-ynyl-1-(2-phenylethynyl)benzene

4-(4-octylphenyl)-2-pent-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name:4-(4-octylphenyl)-2-pent-1-ynyl-1-(2-phenylethynyl)benzene
Openeye Name:4-(4-octylphenyl)-2-pent-1-ynyl-1-(2-phenylethynyl)benzene
CAS Name:4-(4-octylphenyl)-2-pent-1-ynyl-1-(2-phenylethynyl)benzene
IUPAC Name:4-(4-octylphenyl)-2-pent-1-ynyl-1-(2-phenylethynyl)benzene
Traditional Name:4-(4-octylphenyl)-2-pent-1-ynyl-1-(2-phenylethynyl)benzene
Formula: C33H36
MolecularWeight: 432.63894
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC


InChI

InChI=1S/C33H36/c1-3-5-7-8-9-12-17-29-20-23-30(24-21-29)33-26-25-31(32(27-33)18-11-6-4-2)22-19-28-15-13-10-14-16-28/h10,13-16,20-21,23-27H,3-9,12,17H2,1-2H3


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