2-[2-(4-butylphenyl)ethynyl]-6-heptoxy-naphthalene

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptoxy-naphthalene Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptoxy-naphthalene CAS Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptoxynaphthalene IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptoxynaphthalene Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-6-heptoxy-naphthalene Formula: C29H34O MolecularWeight: 398.57966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)CCCC

InChI

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