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

Systemtic Name: 2-hept-1-ynyl-4-hexoxy-1-(2-phenylethynyl)benzene Openeye Name: 2-hept-1-ynyl-4-hexoxy-1-(2-phenylethynyl)benzene CAS Name: 2-hept-1-ynyl-4-hexoxy-1-(2-phenylethynyl)benzene IUPAC Name: 2-hept-1-ynyl-4-hexoxy-1-(2-phenylethynyl)benzene Traditional Name: 2-hept-1-ynyl-4-hexoxy-1-(2-phenylethynyl)benzene Formula: C27H32O MolecularWeight: 372.54238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCCC

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCCC

InChI

InChI=1S/C27H32O/c1-3-5-7-9-13-17-26-23-27(28-22-14-8-6-4-2)21-20-25(26)19-18-24-15-11-10-12-16-24/h10-12,15-16,20-21,23H,3-9,14,22H2,1-2H3