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

Systemtic Name: 2-but-1-ynyl-1-(2-phenylethynyl)-4-propyl-benzene Openeye Name: 2-but-1-ynyl-1-(2-phenylethynyl)-4-propyl-benzene CAS Name: 2-but-1-ynyl-1-(2-phenylethynyl)-4-propylbenzene IUPAC Name: 2-but-1-ynyl-1-(2-phenylethynyl)-4-propylbenzene Traditional Name: 2-but-1-ynyl-1-(2-phenylethynyl)-4-propyl-benzene Formula: C21H20 MolecularWeight: 272.3835

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

Isomeric SMILES

CCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCC

InChI

InChI=1S/C21H20/c1-3-5-12-21-17-19(9-4-2)14-16-20(21)15-13-18-10-7-6-8-11-18/h6-8,10-11,14,16-17H,3-4,9H2,1-2H3