4-pentyl-1-(2-phenylethynyl)-2-prop-1-ynyl-benzene

Systemtic Name: 4-pentyl-1-(2-phenylethynyl)-2-prop-1-ynyl-benzene Openeye Name: 4-pentyl-1-(2-phenylethynyl)-2-prop-1-ynyl-benzene CAS Name: 4-pentyl-1-(2-phenylethynyl)-2-prop-1-ynylbenzene IUPAC Name: 4-pentyl-1-(2-phenylethynyl)-2-prop-1-ynylbenzene Traditional Name: 4-amyl-1-(2-phenylethynyl)-2-prop-1-ynyl-benzene Formula: C22H22 MolecularWeight: 286.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CC

InChI

InChI=1S/C22H22/c1-3-5-7-13-20-15-17-21(22(18-20)10-4-2)16-14-19-11-8-6-9-12-19/h6,8-9,11-12,15,17-18H,3,5,7,13H2,1-2H3