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

Systemtic Name: 2-[2-(4-octylphenyl)ethynyl]-6-propoxy-naphthalene Openeye Name: 2-[2-(4-octylphenyl)ethynyl]-6-propoxy-naphthalene CAS Name: 2-[2-(4-octylphenyl)ethynyl]-6-propoxynaphthalene IUPAC Name: 2-[2-(4-octylphenyl)ethynyl]-6-propoxynaphthalene Traditional Name: 2-[2-(4-octylphenyl)ethynyl]-6-propoxy-naphthalene Formula: C29H34O MolecularWeight: 398.57966

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H34O/c1-3-5-6-7-8-9-10-24-11-13-25(14-12-24)15-16-26-17-18-28-23-29(30-21-4-2)20-19-27(28)22-26/h11-14,17-20,22-23H,3-10,21H2,1-2H3