2-[2-(4-heptylphenyl)ethynyl]-6-hexyl-naphthalene

Systemtic Name: 2-[2-(4-heptylphenyl)ethynyl]-6-hexyl-naphthalene Openeye Name: 2-[2-(4-heptylphenyl)ethynyl]-6-hexyl-naphthalene CAS Name: 2-[2-(4-heptylphenyl)ethynyl]-6-hexylnaphthalene IUPAC Name: 2-[2-(4-heptylphenyl)ethynyl]-6-hexylnaphthalene Traditional Name: 2-[2-(4-heptylphenyl)ethynyl]-6-hexyl-naphthalene Formula: C31H38 MolecularWeight: 410.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)CCCCCC

InChI

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