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

Systemtic Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentoxy-naphthalene Openeye Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentoxy-naphthalene CAS Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentoxynaphthalene IUPAC Name: 2-[2-(4-octylphenyl)ethynyl]-6-pentoxynaphthalene Traditional Name: 2-amoxy-6-[2-(4-octylphenyl)ethynyl]naphthalene Formula: C31H38O MolecularWeight: 426.63282

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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)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H38O/c1-3-5-7-8-9-10-12-26-13-15-27(16-14-26)17-18-28-19-20-30-25-31(22-21-29(30)24-28)32-23-11-6-4-2/h13-16,19-22,24-25H,3-12,23H2,1-2H3