[3-butyl-4-(2-phenylethynyl)oct-1-ynyl]benzene

Systemtic Name: [3-butyl-4-(2-phenylethynyl)oct-1-ynyl]benzene Openeye Name: [3-butyl-4-(2-phenylethynyl)oct-1-ynyl]benzene CAS Name: [3-butyl-4-(2-phenylethynyl)oct-1-ynyl]benzene IUPAC Name: [3-butyl-4-(2-phenylethynyl)oct-1-ynyl]benzene Traditional Name: (3,4-dibutyl-6-phenyl-hexa-1,5-diynyl)benzene Formula: C26H30 MolecularWeight: 342.5164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC1=CC=CC=C1)C(CCCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C#CC1=CC=CC=C1)C(CCCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C26H30/c1-3-5-17-25(21-19-23-13-9-7-10-14-23)26(18-6-4-2)22-20-24-15-11-8-12-16-24/h7-16,25-26H,3-6,17-18H2,1-2H3