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

Systemtic Name: 4-butyl-2-but-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-butyl-2-but-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-butyl-2-but-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-butyl-2-but-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-butyl-2-but-1-ynyl-1-(2-phenylethynyl)benzene Formula: C22H22 MolecularWeight: 286.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

InChI

InChI=1S/C22H22/c1-3-5-10-20-15-17-21(22(18-20)13-6-4-2)16-14-19-11-8-7-9-12-19/h7-9,11-12,15,17-18H,3-5,10H2,1-2H3