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

Systemtic Name: 2-hept-1-ynyl-4-methoxy-1-(2-phenylethynyl)benzene Openeye Name: 2-hept-1-ynyl-4-methoxy-1-(2-phenylethynyl)benzene CAS Name: 2-hept-1-ynyl-4-methoxy-1-(2-phenylethynyl)benzene IUPAC Name: 2-hept-1-ynyl-4-methoxy-1-(2-phenylethynyl)benzene Traditional Name: 2-hept-1-ynyl-4-methoxy-1-(2-phenylethynyl)benzene Formula: C22H22O MolecularWeight: 302.40948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O/c1-3-4-5-6-10-13-21-18-22(23-2)17-16-20(21)15-14-19-11-8-7-9-12-19/h7-9,11-12,16-18H,3-6H2,1-2H3