2-[2-(4-octylphenyl)ethynyl]-6-pentyl-naphthalene

Systemtic Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentyl-naphthalene Openeye Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentyl-naphthalene CAS Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentylnaphthalene IUPAC Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentylnaphthalene Traditional Name: 2-amyl-6-[2-(4-octylphenyl)ethynyl]naphthalene Formula: C31H38 MolecularWeight: 410.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)CCCCC

InChI

InChI=1S/C31H38/c1-3-5-7-8-9-11-12-26-14-16-27(17-15-26)18-19-29-21-23-30-24-28(13-10-6-4-2)20-22-31(30)25-29/h14-17,20-25H,3-13H2,1-2H3