4-butoxy-2-hept-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 4-butoxy-2-hept-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-butoxy-2-hept-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-butoxy-2-hept-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-butoxy-2-hept-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-butoxy-2-hept-1-ynyl-1-(2-phenylethynyl)benzene Formula: C25H28O MolecularWeight: 344.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(C=CC(=C1)OCCCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCC#CC1=C(C=CC(=C1)OCCCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C25H28O/c1-3-5-7-8-12-15-24-21-25(26-20-6-4-2)19-18-23(24)17-16-22-13-10-9-11-14-22/h9-11,13-14,18-19,21H,3-8,20H2,1-2H3