2-but-1-ynyl-4-heptoxy-1-(2-phenylethynyl)benzene

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

InChI

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