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

Systemtic Name: 4-octyl-1-(2-phenylethynyl)-2-prop-1-ynyl-benzene Openeye Name: 4-octyl-1-(2-phenylethynyl)-2-prop-1-ynyl-benzene CAS Name: 4-octyl-1-(2-phenylethynyl)-2-prop-1-ynylbenzene IUPAC Name: 4-octyl-1-(2-phenylethynyl)-2-prop-1-ynylbenzene Traditional Name: 4-octyl-1-(2-phenylethynyl)-2-prop-1-ynyl-benzene Formula: C25H28 MolecularWeight: 328.48982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CC

InChI

InChI=1S/C25H28/c1-3-5-6-7-8-10-16-23-18-20-24(25(21-23)13-4-2)19-17-22-14-11-9-12-15-22/h9,11-12,14-15,18,20-21H,3,5-8,10,16H2,1-2H3